{"id":"https://openalex.org/W4401435285","doi":"https://doi.org/10.1371/journal.pcbi.1014183","title":"VUStruct: A compute pipeline for high throughput and personalized structural biology","display_name":"VUStruct: A compute pipeline for high throughput and personalized structural biology","publication_year":2026,"publication_date":"2026-05-04","ids":{"openalex":"https://openalex.org/W4401435285","doi":"https://doi.org/10.1371/journal.pcbi.1014183","pmid":"https://pubmed.ncbi.nlm.nih.gov/39149406","pmcid":"https://www.ncbi.nlm.nih.gov/pmc/articles/11326201"},"language":"en","primary_location":{"id":"doi:10.1371/journal.pcbi.1014183","doi":"https://doi.org/10.1371/journal.pcbi.1014183","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pcbi.1014183","pdf_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1014183&type=printable","source":{"id":"https://openalex.org/S86033158","display_name":"PLoS Computational Biology","issn_l":"1553-734X","issn":["1553-734X","1553-7358"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["anvur-scientific","ccf-b","cwts-core","doaj","dongbi-b","doyens","jufo-3","ki-jl-2","medline","norway-2","oarl","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310315706","host_organization_name":"Public Library of Science","host_organization_lineage":["https://openalex.org/P4310315706"],"host_organization_lineage_names":["Public Library of Science"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"PLOS Computational Biology","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1014183&type=printable","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5067362950","display_name":"Christopher W. Moth","orcid":"https://orcid.org/0000-0001-8867-9369","observed_orcids":["https://orcid.org/0000-0001-8867-9369"]},"institutions":[{"id":"https://openalex.org/I200719446","display_name":"Vanderbilt University","ror":"https://ror.org/02vm5rt34","country_code":"US","type":"education","lineage":["https://openalex.org/I200719446"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Christopher W. Moth","raw_affiliation_strings":["Departments of Chemistry, Pharmacology, and Biomedical Informatics, Center for Structural Biology and Institute of Chemical Biology; Vanderbilt University, Nashville, Tennessee, United States of America","Center for Structural Biology and Institute of Chemical Biology","Departments of Chemistry, Pharmacology, and Biomedical Informatics","Vanderbilt Univ., Nashville, TN 37232, USA"],"raw_orcid":"https://orcid.org/0000-0001-8867-9369","affiliations":[{"raw_affiliation_string":"Departments of Chemistry, Pharmacology, and Biomedical Informatics, Center for Structural Biology and Institute of Chemical Biology; Vanderbilt University, Nashville, Tennessee, United States of America","institution_ids":["https://openalex.org/I200719446"]},{"raw_affiliation_string":"Center for Structural Biology and Institute of Chemical Biology","institution_ids":[]},{"raw_affiliation_string":"Departments of Chemistry, Pharmacology, and Biomedical Informatics","institution_ids":[]},{"raw_affiliation_string":"Vanderbilt Univ., Nashville, TN 37232, USA","institution_ids":["https://openalex.org/I200719446"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5005913399","display_name":"Jonathan H. Sheehan","orcid":"https://orcid.org/0000-0002-9641-7577","observed_orcids":["https://orcid.org/0000-0002-9641-7577"]},"institutions":[{"id":"https://openalex.org/I204465549","display_name":"Washington University in St. Louis","ror":"https://ror.org/01yc7t268","country_code":"US","type":"education","lineage":["https://openalex.org/I204465549"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Jonathan H. Sheehan","raw_affiliation_strings":["Division of Infectious Diseases, Department of Internal Medicine, Washington University School of Medicine, St. Louis, Missouri, United States of America","Division of Infection Diseases, Milliken Dept. of Internal Medicine, Washington Univ. of Medicine in St. Louis, MO 63110, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Division of Infectious Diseases, Department of Internal Medicine, Washington University School of Medicine, St. Louis, Missouri, United States of America","institution_ids":["https://openalex.org/I204465549"]},{"raw_affiliation_string":"Division of Infection Diseases, Milliken Dept. of Internal Medicine, Washington Univ. of Medicine in St. Louis, MO 63110, USA","institution_ids":["https://openalex.org/I204465549"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5038274321","display_name":"Abdullah Al Mamun","orcid":"https://orcid.org/0000-0001-8941-8195","observed_orcids":["https://orcid.org/0000-0001-8941-8195"]},"institutions":[{"id":"https://openalex.org/I118073183","display_name":"Meharry Medical College","ror":"https://ror.org/00k63dq23","country_code":"US","type":"education","lineage":["https://openalex.org/I118073183"]},{"id":"https://openalex.org/I200719446","display_name":"Vanderbilt University","ror":"https://ror.org/02vm5rt34","country_code":"US","type":"education","lineage":["https://openalex.org/I200719446"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Abdullah Al Mamun","raw_affiliation_strings":["Department of Biomedical Data Science, School of Applied Computational Sciences, Meharry Medical College, Nashville, Tennessee, United States of America","Center for Structural Biology and Institute of Chemical Biology","Departments of Chemistry, Pharmacology, and Biomedical Informatics","Vanderbilt Univ., Nashville, TN 37232, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Biomedical Data Science, School of Applied Computational Sciences, Meharry Medical College, Nashville, Tennessee, United States of America","institution_ids":["https://openalex.org/I118073183"]},{"raw_affiliation_string":"Center for Structural Biology and Institute of Chemical Biology","institution_ids":[]},{"raw_affiliation_string":"Departments of Chemistry, Pharmacology, and Biomedical Informatics","institution_ids":[]},{"raw_affiliation_string":"Vanderbilt Univ., Nashville, TN 37232, USA","institution_ids":["https://openalex.org/I200719446"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5034773030","display_name":"R. Michael Sivley","orcid":"https://orcid.org/0000-0003-1755-6489","observed_orcids":["https://orcid.org/0000-0003-1755-6489","https://orcid.org/0000-0002-7050-7128"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"R. Michael Sivley","raw_affiliation_strings":["Biomedical Informatics at 5Prime Sciences, Montreal, Quebec, Canada","Biomedical Informatics at 5Prime Sciences, Montreal, Canada"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Biomedical Informatics at 5Prime Sciences, Montreal, Quebec, Canada","institution_ids":[]},{"raw_affiliation_string":"Biomedical Informatics at 5Prime Sciences, Montreal, Canada","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5019958884","display_name":"Alican Gulsevin","orcid":"https://orcid.org/0000-0002-8724-5777","observed_orcids":["https://orcid.org/0000-0002-8724-5777"]},"institutions":[{"id":"https://openalex.org/I110678235","display_name":"Butler University","ror":"https://ror.org/05gq3a412","country_code":"US","type":"education","lineage":["https://openalex.org/I110678235"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Alican Gulsevin","raw_affiliation_strings":["Department of Pharmaceutical Sciences, College of Pharmacy and Health Sciences, Butler University, Indianapolis, Indiana, United States of America","Department of Pharmaceutical Sciences, College of Pharmacy and Health Sciences, Butler University, Indianapolis, IN 6208, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Sciences, College of Pharmacy and Health Sciences, Butler University, Indianapolis, Indiana, United States of America","institution_ids":["https://openalex.org/I110678235"]},{"raw_affiliation_string":"Department of Pharmaceutical Sciences, College of Pharmacy and Health Sciences, Butler University, Indianapolis, IN 6208, USA","institution_ids":["https://openalex.org/I110678235"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5087966798","display_name":"David C. Rinker","orcid":"https://orcid.org/0000-0001-5894-7633","observed_orcids":["https://orcid.org/0000-0001-5894-7633"]},"institutions":[{"id":"https://openalex.org/I200719446","display_name":"Vanderbilt University","ror":"https://ror.org/02vm5rt34","country_code":"US","type":"education","lineage":["https://openalex.org/I200719446"]},{"id":"https://openalex.org/I4210129690","display_name":"Department of Biological Sciences","ror":"https://ror.org/038rjvd86","country_code":"RU","type":"government","lineage":["https://openalex.org/I1313323035","https://openalex.org/I4210129690"]},{"id":"https://openalex.org/I4210158638","display_name":"Department of Biological Sciences","ror":"https://ror.org/05dte6685","country_code":"BY","type":"facility","lineage":["https://openalex.org/I151823869","https://openalex.org/I4210158638"]}],"countries":["BY","RU","US"],"is_corresponding":false,"raw_author_name":"David C. Rinker","raw_affiliation_strings":["Department of Biological Sciences, Evolutionary Studies Initiative; Vanderbilt University, Nashville, Tennessee, United States of America","Department of Biological Sciences, Evolutionary Studies Initiative","Vanderbilt Univ., Nashville, TN 37232, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Biological Sciences, Evolutionary Studies Initiative; Vanderbilt University, Nashville, Tennessee, United States of America","institution_ids":["https://openalex.org/I200719446"]},{"raw_affiliation_string":"Department of Biological Sciences, Evolutionary Studies Initiative","institution_ids":["https://openalex.org/I4210129690","https://openalex.org/I4210158638"]},{"raw_affiliation_string":"Vanderbilt Univ., Nashville, TN 37232, USA","institution_ids":["https://openalex.org/I200719446"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Zenab F. Mchaourab","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I118073183","display_name":"Meharry Medical College","ror":"https://ror.org/00k63dq23","country_code":"US","type":"education","lineage":["https://openalex.org/I118073183"]},{"id":"https://openalex.org/I180670191","display_name":"University of California, San Francisco","ror":"https://ror.org/043mz5j54","country_code":"US","type":"education","lineage":["https://openalex.org/I180670191"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Zenab F. Mchaourab","raw_affiliation_strings":["Meharry Medical College, Nashville, Tennessee, United States of America","Bakar Computational Health Science Institute and Department of Epidemiology and Biostatistics, Univ. of California San Francisco, CA 94143, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Meharry Medical College, Nashville, Tennessee, United States of America","institution_ids":["https://openalex.org/I118073183"]},{"raw_affiliation_string":"Bakar Computational Health Science Institute and Department of Epidemiology and Biostatistics, Univ. of California San Francisco, CA 94143, USA","institution_ids":["https://openalex.org/I180670191"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Undiagnosed Diseases Network","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I200719446","display_name":"Vanderbilt University","ror":"https://ror.org/02vm5rt34","country_code":"US","type":"education","lineage":["https://openalex.org/I200719446"]},{"id":"https://openalex.org/I926574661","display_name":"Leipzig University","ror":"https://ror.org/03s7gtk40","country_code":"DE","type":"education","lineage":["https://openalex.org/I926574661"]}],"countries":["DE","US"],"is_corresponding":false,"raw_author_name":"Undiagnosed Diseases Network","raw_affiliation_strings":["Center for Structural Biology and Institute of Chemical Biology","Departments of Chemistry, Pharmacology, and Biomedical Informatics","Leipzig University Medical School, Institute for Drug Discovery, Br\u00fcderstra\u00dfe 34, 04103 Leipzig, Germany","Vanderbilt Univ., Nashville, TN 37232, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Center for Structural Biology and Institute of Chemical Biology","institution_ids":[]},{"raw_affiliation_string":"Departments of Chemistry, Pharmacology, and Biomedical Informatics","institution_ids":[]},{"raw_affiliation_string":"Leipzig University Medical School, Institute for Drug Discovery, Br\u00fcderstra\u00dfe 34, 04103 Leipzig, Germany","institution_ids":["https://openalex.org/I926574661"]},{"raw_affiliation_string":"Vanderbilt Univ., Nashville, TN 37232, USA","institution_ids":["https://openalex.org/I200719446"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5017645655","display_name":"John A. Capra","orcid":"https://orcid.org/0000-0001-9743-1795","observed_orcids":["https://orcid.org/0000-0001-9743-1795"]},"institutions":[{"id":"https://openalex.org/I180670191","display_name":"University of California, San Francisco","ror":"https://ror.org/043mz5j54","country_code":"US","type":"education","lineage":["https://openalex.org/I180670191"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"John A. Capra","raw_affiliation_strings":["Bakar Computational Health Science Institute and Department of Epidemiology and Biostatistics, University of California, San Francisco, California, United States of America"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Bakar Computational Health Science Institute and Department of Epidemiology and Biostatistics, University of California, San Francisco, California, United States of America","institution_ids":["https://openalex.org/I180670191"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5025842562","display_name":"Jens Meiler","orcid":"https://orcid.org/0000-0001-8945-193X","observed_orcids":["https://orcid.org/0000-0001-8945-193X"]},"institutions":[{"id":"https://openalex.org/I200719446","display_name":"Vanderbilt University","ror":"https://ror.org/02vm5rt34","country_code":"US","type":"education","lineage":["https://openalex.org/I200719446"]},{"id":"https://openalex.org/I926574661","display_name":"Leipzig University","ror":"https://ror.org/03s7gtk40","country_code":"DE","type":"education","lineage":["https://openalex.org/I926574661"]}],"countries":["DE","US"],"is_corresponding":true,"raw_author_name":"Jens Meiler","raw_affiliation_strings":["Departments of Chemistry, Pharmacology, and Biomedical Informatics, Center for Structural Biology and Institute of Chemical Biology; Vanderbilt University, Nashville, Tennessee, United States of America","Leipzig University Medical School, Institute for Drug Discovery, Leipzig, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Departments of Chemistry, Pharmacology, and Biomedical Informatics, Center for Structural Biology and Institute of Chemical Biology; Vanderbilt University, Nashville, Tennessee, United States of America","institution_ids":["https://openalex.org/I200719446"]},{"raw_affiliation_string":"Leipzig University Medical School, Institute for Drug Discovery, Leipzig, Germany","institution_ids":["https://openalex.org/I926574661"]}]}],"institutions":[],"countries_distinct_count":4,"institutions_distinct_count":8,"corresponding_author_ids":["https://openalex.org/A5025842562"],"corresponding_institution_ids":["https://openalex.org/I200719446","https://openalex.org/I926574661"],"apc_list":{"value":3043,"currency":"USD","value_usd":3043},"apc_paid":{"value":3043,"currency":"USD","value_usd":3043},"fwci":7.0013,"has_fulltext":true,"cited_by_count":6,"citation_normalized_percentile":{"value":0.95684647,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":95,"max":97},"biblio":{"volume":"22","issue":"5","first_page":"e1014183","last_page":"e1014183"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11642","display_name":"Genomics and Rare Diseases","score":1.0,"subfield":{"id":"https://openalex.org/subfields/1311","display_name":"Genetics"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T11642","display_name":"Genomics and Rare Diseases","score":1.0,"subfield":{"id":"https://openalex.org/subfields/1311","display_name":"Genetics"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.0,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T11162","display_name":"Enzyme Structure and Function","score":0.0,"subfield":{"id":"https://openalex.org/subfields/1315","display_name":"Structural Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/variants-of-uncertain-significance","display_name":"variants of uncertain significance","score":0.9679999947547913},{"id":"https://openalex.org/keywords/missense-mutations","display_name":"missense mutations","score":0.8550000190734863},{"id":"https://openalex.org/keywords/rare-genetic-disorders","display_name":"rare genetic disorders","score":0.7630000114440918},{"id":"https://openalex.org/keywords/variant-pathogenicity-prediction","display_name":"variant pathogenicity prediction","score":0.7409999966621399},{"id":"https://openalex.org/keywords/protein-folding-and-stability","display_name":"protein folding and stability","score":0.7540000081062317},{"id":"https://openalex.org/keywords/spatial-clustering","display_name":"spatial clustering","score":0.656000018119812},{"id":"https://openalex.org/keywords/post-translational-modification-sites","display_name":"post-translational modification sites","score":0.972000002861023}],"concepts":[{"id":"https://openalex.org/C43521106","wikidata":"https://www.wikidata.org/wiki/Q2165493","display_name":"Pipeline (software)","level":2,"score":0.8457108736038208},{"id":"https://openalex.org/C157764524","wikidata":"https://www.wikidata.org/wiki/Q1383412","display_name":"Throughput","level":3,"score":0.7140272855758667},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5739755034446716},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.5013372898101807},{"id":"https://openalex.org/C118524514","wikidata":"https://www.wikidata.org/wiki/Q173212","display_name":"Computer architecture","level":1,"score":0.3618691563606262},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.34715598821640015},{"id":"https://openalex.org/C173608175","wikidata":"https://www.wikidata.org/wiki/Q232661","display_name":"Parallel computing","level":1,"score":0.32888150215148926},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.13995110988616943},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.10660937428474426},{"id":"https://openalex.org/C555944384","wikidata":"https://www.wikidata.org/wiki/Q249","display_name":"Wireless","level":2,"score":0.0}],"mesh":[],"locations_count":8,"locations":[{"id":"doi:10.1371/journal.pcbi.1014183","doi":"https://doi.org/10.1371/journal.pcbi.1014183","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pcbi.1014183","pdf_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1014183&type=printable","source":{"id":"https://openalex.org/S86033158","display_name":"PLoS Computational Biology","issn_l":"1553-734X","issn":["1553-734X","1553-7358"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["anvur-scientific","ccf-b","cwts-core","doaj","dongbi-b","doyens","jufo-3","ki-jl-2","medline","norway-2","oarl","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310315706","host_organization_name":"Public Library of Science","host_organization_lineage":["https://openalex.org/P4310315706"],"host_organization_lineage_names":["Public Library of Science"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"PLOS Computational Biology","raw_type":"journal-article"},{"id":"doi:10.1101/2024.08.06.606224","doi":"https://doi.org/10.1101/2024.08.06.606224","is_oa":true,"landing_page_url":"https://doi.org/10.1101/2024.08.06.606224","pdf_url":null,"source":{"id":"https://openalex.org/S4306402567","display_name":"bioRxiv (Cold Spring Harbor Laboratory)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I2750212522","host_organization_name":"Cold Spring Harbor Laboratory","host_organization_lineage":["https://openalex.org/I2750212522"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"bioRxiv","raw_type":"posted-content"},{"id":"pmid:39149406","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/39149406","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"bioRxiv : the preprint server for biology","raw_type":"Journal Article"},{"id":"pmid:42081565","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/42081565","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"PLoS computational biology","raw_type":"Journal Article"},{"id":"pmh:oai:pubmedcentral.nih.gov:13160433","doi":null,"is_oa":true,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/42081565/","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"PLoS Comput Biol","raw_type":"Text"},{"id":"pmh:oai:digitalcommons.wustl.edu:oa_4-8488","doi":null,"is_oa":true,"landing_page_url":"https://digitalcommons.wustl.edu/oa_4/7501","pdf_url":"https://digitalcommons.wustl.edu/context/oa_4/article/8488/viewcontent/VUStruct_PLoS_Computational_Biology.pdf","source":{"id":"https://openalex.org/S4306400764","display_name":"Digital Commons@Becker (Washington University School of Medicine)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I204465549","host_organization_name":"Washington University in St. Louis","host_organization_lineage":["https://openalex.org/I204465549"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"2020-Current year OA Pubs","raw_type":"text"},{"id":"pmh:oai:pubmedcentral.nih.gov:11326201","doi":null,"is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/11326201","pdf_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC11326201/pdf/nihpp-2024.08.06.606224v2.pdf","source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"bioRxiv","raw_type":"Text"},{"id":"pmh:oai:doaj.org/article:776bd2d13b784a0e8ae96efee9e9e69f","doi":null,"is_oa":false,"landing_page_url":"https://doaj.org/article/776bd2d13b784a0e8ae96efee9e9e69f","pdf_url":null,"source":{"id":"https://openalex.org/S4306401280","display_name":"DOAJ (DOAJ: Directory of Open Access Journals)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"PLoS Computational Biology, Vol 22, Iss 5, p e1014183 (2026)","raw_type":"article"}],"best_oa_location":{"id":"doi:10.1371/journal.pcbi.1014183","doi":"https://doi.org/10.1371/journal.pcbi.1014183","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pcbi.1014183","pdf_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1014183&type=printable","source":{"id":"https://openalex.org/S86033158","display_name":"PLoS Computational Biology","issn_l":"1553-734X","issn":["1553-734X","1553-7358"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["anvur-scientific","ccf-b","cwts-core","doaj","dongbi-b","doyens","jufo-3","ki-jl-2","medline","norway-2","oarl","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310315706","host_organization_name":"Public Library of Science","host_organization_lineage":["https://openalex.org/P4310315706"],"host_organization_lineage_names":["Public Library of Science"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"PLOS Computational Biology","raw_type":"journal-article"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/3","score":0.428600013256073,"display_name":"Good health and well-being"}],"study_designs":[],"awards":[{"id":"https://openalex.org/G1196598782","display_name":"Personalized Structural Biology: Enabling Exome Interpretation in Undiagnosed Diseases","funder_award_id":"R01LM013434","funder_id":"https://openalex.org/F4320337372","funder_display_name":"U.S. National Library of Medicine"},{"id":"https://openalex.org/G1455670351","display_name":null,"funder_award_id":"SFB 1052","funder_id":"https://openalex.org/F4320320879","funder_display_name":"Deutsche Forschungsgemeinschaft"},{"id":"https://openalex.org/G1479485356","display_name":"SFB 1052: Mechanismen der Adipositas","funder_award_id":"209933838","funder_id":"https://openalex.org/F4320320879","funder_display_name":"Deutsche Forschungsgemeinschaft"},{"id":"https://openalex.org/G1633987393","display_name":null,"funder_award_id":"SPP2363","funder_id":"https://openalex.org/F4320320879","funder_display_name":"Deutsche Forschungsgemeinschaft"},{"id":"https://openalex.org/G1867085847","display_name":null,"funder_award_id":"DAAD project 57616814","funder_id":"https://openalex.org/F4320321114","funder_display_name":"Bundesministerium f\u00fcr Bildung und Forschung"},{"id":"https://openalex.org/G1980014556","display_name":null,"funder_award_id":"S10OD016216","funder_id":"https://openalex.org/F4320337349","funder_display_name":"NIH Office of the Director"},{"id":"https://openalex.org/G2140369185","display_name":"GPU-Accelerated Parallel Computer for Drug Discovery Applications","funder_award_id":"S10OD020154","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"},{"id":"https://openalex.org/G2775294776","display_name":"Structure based design of trimer interface epitope focused universal influenza vaccines","funder_award_id":"U01AI150739","funder_id":"https://openalex.org/F4320337355","funder_display_name":"National Institute of Allergy and Infectious Diseases"},{"id":"https://openalex.org/G2833659745","display_name":null,"funder_award_id":"S10OD032234","funder_id":"https://openalex.org/F4320337349","funder_display_name":"NIH Office of the Director"},{"id":"https://openalex.org/G3759311550","display_name":null,"funder_award_id":"R01 LM013434","funder_id":"https://openalex.org/F4320308269","funder_display_name":"Alexander von Humboldt-Stiftung"},{"id":"https://openalex.org/G4097572831","display_name":null,"funder_award_id":"S10OD020154","funder_id":"https://openalex.org/F4320337349","funder_display_name":"NIH Office of the Director"},{"id":"https://openalex.org/G4712284355","display_name":null,"funder_award_id":"57616814","funder_id":"https://openalex.org/F4320320875","funder_display_name":"Deutscher Akademischer Austauschdienst"},{"id":"https://openalex.org/G482723523","display_name":null,"funder_award_id":"SPP 2363","funder_id":"https://openalex.org/F4320308269","funder_display_name":"Alexander von Humboldt-Stiftung"},{"id":"https://openalex.org/G485242556","display_name":null,"funder_award_id":"R01 CA227833","funder_id":"https://openalex.org/F4320308269","funder_display_name":"Alexander von Humboldt-Stiftung"},{"id":"https://openalex.org/G4994359279","display_name":"SFB 1423: Strukturelle Dynamik der GPCRAktivierung und Signaltransduktion","funder_award_id":"421152132","funder_id":"https://openalex.org/F4320320879","funder_display_name":"Deutsche Forschungsgemeinschaft"},{"id":"https://openalex.org/G5170148542","display_name":"GPU-Accelerated Parallel Computer for Life Sciences Research","funder_award_id":"1s10od032234-01","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"},{"id":"https://openalex.org/G5196458118","display_name":"Vanderbilt Center for Undiagnosed Diseases (VCUD)","funder_award_id":"U01HG007674","funder_id":"https://openalex.org/F4320337348","funder_display_name":"National Human Genome Research Institute"},{"id":"https://openalex.org/G6029886166","display_name":null,"funder_award_id":"SFB 1423","funder_id":"https://openalex.org/F4320320879","funder_display_name":"Deutsche Forschungsgemeinschaft"},{"id":"https://openalex.org/G6330580439","display_name":"Parallel Computer with High Memory Nodes","funder_award_id":"1s10od016216-01","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"},{"id":"https://openalex.org/G7838980559","display_name":"Washington University School of Medicine Undiagnosed Diseases Network Clinical Site","funder_award_id":"U01HG010215","funder_id":"https://openalex.org/F4320337348","funder_display_name":"National Human Genome Research Institute"},{"id":"https://openalex.org/G7938612616","display_name":"Mechanistic insights into Variants of Uncertain Significance (VUS) using novel EGFR variants as a paradigm","funder_award_id":"R01CA227833","funder_id":"https://openalex.org/F4320337351","funder_display_name":"National Cancer Institute"},{"id":"https://openalex.org/G8072767560","display_name":null,"funder_award_id":"R01 DA046138","funder_id":"https://openalex.org/F4320308269","funder_display_name":"Alexander von Humboldt-Stiftung"},{"id":"https://openalex.org/G8113667004","display_name":"Structural Determinants of Allosteric Modulation of Brain GPCRs","funder_award_id":"R01DA046138","funder_id":"https://openalex.org/F4320337347","funder_display_name":"National Institute on Drug Abuse"},{"id":"https://openalex.org/G8756277515","display_name":"SPP 2363: Nutzung und Entwicklung des maschinellen Lernens f\u00fcr molekulare Anwendungen  Molekulares maschinelles Lernen","funder_award_id":"460865652","funder_id":"https://openalex.org/F4320320879","funder_display_name":"Deutsche Forschungsgemeinschaft"},{"id":"https://openalex.org/G9000856630","display_name":"Washington University in St. Louis UDN Diagnostic Center of Excellence","funder_award_id":"U01NS134354","funder_id":"https://openalex.org/F4320337359","funder_display_name":"National Institute of Neurological Disorders and Stroke"},{"id":"https://openalex.org/G9000879892","display_name":"Cerebrovascular involvement in Alzheimer's Disease:  PAR4 Antagonism","funder_award_id":"R01AG068623","funder_id":"https://openalex.org/F4320337337","funder_display_name":"National Institute on Aging"},{"id":"https://openalex.org/G9000902673","display_name":"Vanderbilt Center of Excellence for Undiagnosed Disease (VCEUD)","funder_award_id":"U01NS134349","funder_id":"https://openalex.org/F4320337359","funder_display_name":"National Institute of Neurological Disorders and Stroke"},{"id":"https://openalex.org/G9000902996","display_name":"Decrypting Variants of Uncertain Significance in Long-QT Syndrome","funder_award_id":"R01HL122010","funder_id":"https://openalex.org/F4320337338","funder_display_name":"National Heart, Lung, and Blood Institute"}],"funders":[{"id":"https://openalex.org/F4320308269","display_name":"Alexander von Humboldt-Stiftung","ror":"https://ror.org/012kf4317"},{"id":"https://openalex.org/F4320309151","display_name":"Vanderbilt University","ror":"https://ror.org/02vm5rt34"},{"id":"https://openalex.org/F4320320875","display_name":"Deutscher Akademischer Austauschdienst","ror":"https://ror.org/039djdh30"},{"id":"https://openalex.org/F4320320879","display_name":"Deutsche Forschungsgemeinschaft","ror":"https://ror.org/018mejw64"},{"id":"https://openalex.org/F4320321114","display_name":"Bundesministerium f\u00fcr Bildung und Forschung","ror":"https://ror.org/04pz7b180"},{"id":"https://openalex.org/F4320330124","display_name":"German Network for Bioinformatics Infrastructure","ror":"https://ror.org/01vmpm840"},{"id":"https://openalex.org/F4320332161","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88"},{"id":"https://openalex.org/F4320337337","display_name":"National Institute on Aging","ror":"https://ror.org/049v75w11"},{"id":"https://openalex.org/F4320337338","display_name":"National Heart, Lung, and Blood Institute","ror":"https://ror.org/012pb6c26"},{"id":"https://openalex.org/F4320337347","display_name":"National Institute on Drug Abuse","ror":"https://ror.org/00fq5cm18"},{"id":"https://openalex.org/F4320337348","display_name":"National Human Genome Research Institute","ror":"https://ror.org/00baak391"},{"id":"https://openalex.org/F4320337349","display_name":"NIH Office of the Director","ror":"https://ror.org/00fj8a872"},{"id":"https://openalex.org/F4320337351","display_name":"National Cancer Institute","ror":"https://ror.org/040gcmg81"},{"id":"https://openalex.org/F4320337355","display_name":"National Institute of Allergy and Infectious Diseases","ror":"https://ror.org/043z4tv69"},{"id":"https://openalex.org/F4320337359","display_name":"National Institute of Neurological Disorders and Stroke","ror":"https://ror.org/01s5ya894"},{"id":"https://openalex.org/F4320337372","display_name":"U.S. National Library of Medicine","ror":"https://ror.org/0060t0j89"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4401435285.pdf","grobid_xml":"https://content.openalex.org/works/W4401435285.grobid-xml"},"referenced_works_count":63,"referenced_works":["https://openalex.org/W174317439","https://openalex.org/W1596936080","https://openalex.org/W1981231263","https://openalex.org/W2038473742","https://openalex.org/W2109372707","https://openalex.org/W2109784169","https://openalex.org/W2130479394","https://openalex.org/W2131736388","https://openalex.org/W2143238378","https://openalex.org/W2149992227","https://openalex.org/W2153457180","https://openalex.org/W2161978970","https://openalex.org/W2163352757","https://openalex.org/W2171419407","https://openalex.org/W2376573086","https://openalex.org/W2417483443","https://openalex.org/W2538176089","https://openalex.org/W2584596997","https://openalex.org/W2591564563","https://openalex.org/W2607211030","https://openalex.org/W2613409207","https://openalex.org/W2742750032","https://openalex.org/W2770026599","https://openalex.org/W2786506455","https://openalex.org/W2799718238","https://openalex.org/W2806399642","https://openalex.org/W2898789672","https://openalex.org/W2900674118","https://openalex.org/W2901527454","https://openalex.org/W2936956377","https://openalex.org/W2953263404","https://openalex.org/W2979570058","https://openalex.org/W3029661147","https://openalex.org/W3092344367","https://openalex.org/W3095583226","https://openalex.org/W3095866415","https://openalex.org/W3128055903","https://openalex.org/W3177828909","https://openalex.org/W3200057886","https://openalex.org/W4200135473","https://openalex.org/W4220768028","https://openalex.org/W4224014283","https://openalex.org/W4224930335","https://openalex.org/W4229031603","https://openalex.org/W4234714728","https://openalex.org/W4281758613","https://openalex.org/W4284896905","https://openalex.org/W4285806586","https://openalex.org/W4286560036","https://openalex.org/W4295888250","https://openalex.org/W4309506674","https://openalex.org/W4311579410","https://openalex.org/W4360612265","https://openalex.org/W4386861232","https://openalex.org/W4387996950","https://openalex.org/W4390816949","https://openalex.org/W4391216271","https://openalex.org/W4391508557","https://openalex.org/W4393042145","https://openalex.org/W4395010845","https://openalex.org/W4396721167","https://openalex.org/W4398182670","https://openalex.org/W4404755712"],"related_works":["https://openalex.org/W4286560036","https://openalex.org/W3201334421","https://openalex.org/W4417443187","https://openalex.org/W4385568297","https://openalex.org/W2808049007","https://openalex.org/W2979570058","https://openalex.org/W7127566452","https://openalex.org/W2951162972","https://openalex.org/W2953374171","https://openalex.org/W4416754427"],"abstract_inverted_index":{"Effective":[0],"diagnosis":[1],"and":[2,30,76,91,98,104,135,149,157,166,181,225,259],"treatment":[3],"of":[4,11,16,51,55,67,140,146,162,179,203,221],"rare":[5,193],"genetic":[6,14],"disorders":[7],"requires":[8],"the":[9,47,65,112,175],"interpretation":[10,196],"a":[12,117,137],"patient's":[13],"variants":[15,129],"unknown":[17],"significance":[18],"(VUSs).":[19],"Today,":[20],"clinical":[21,192],"decision-making":[22],"is":[23,62],"primarily":[24],"guided":[25],"by":[26,44,64],"gene-phenotype":[27],"association":[28],"databases":[29],"DNA-based":[31],"scoring":[32],"methods.":[33],"Our":[34],"web-accessible":[35],"variant":[36],"analysis":[37,202],"pipeline,":[38],"VUStruct,":[39],"supplements":[40],"these":[41],"established":[42],"approaches":[43],"deeply":[45],"analyzing":[46],"downstream":[48],"molecular":[49],"impact":[50,61],"variation":[52],"in":[53,81,186,191,218,255],"context":[54],"3D":[56,69,83],"protein":[57,68,82,133,147],"structure.":[58],"VUStruct's":[59,189],"growing":[60],"fueled":[63],"co-proliferation":[66],"structural":[70,84],"models,":[71],"gene":[72],"sequencing,":[73],"compute":[74],"power,":[75],"artificial":[77],"intelligence.":[78],"Contextualizing":[79],"VUSs":[80],"models":[85],"also":[86,173,241],"illuminates":[87],"longitudinal":[88],"genomics":[89,258],"studies":[90],"biochemical":[92],"bench":[93],"research":[94,246,253],"focused":[95],"on":[96],"VUS,":[97],"we":[99,226],"created":[100],"VUStruct":[101,110,126,234,250],"for":[102,248],"clinicians":[103,217],"researchers":[105],"alike.":[106],"We":[107,240],"now":[108],"introduce":[109],"to":[111,237],"broad":[113,138],"scientific":[114],"community":[115],"as":[116],"mature,":[118],"web-facing,":[119],"extensible,":[120],"High-Performance":[121],"Computing":[122],"(HPC)":[123],"software":[124],"pipeline.":[125],"maps":[127],"missense":[128],"onto":[130],"automatically":[131],"selected":[132],"structures":[134],"launches":[136],"range":[139],"analyses.":[141],"These":[142],"include":[143],"energy-based":[144],"assessments":[145],"folding":[148],"stability,":[150],"pathogenicity":[151],"prediction":[152],"through":[153,200],"spatial":[154],"clustering":[155],"analysis,":[156],"machine":[158],"learning":[159],"(ML)":[160],"predictors":[161],"binding":[163],"surface":[164],"disruptions":[165],"nearby":[167],"post-translational":[168],"modification":[169],"sites.":[170],"The":[171],"pipeline":[172],"considers":[174],"entire":[176],"input":[177],"set":[178],"VUS":[180],"identifies":[182],"genes":[183],"potentially":[184],"involved":[185],"digenic":[187],"disease.":[188],"utility":[190],"disease":[194],"genome":[195],"has":[197,251],"been":[198],"demonstrated":[199],"its":[201],"over":[204],"175":[205],"Undiagnosed":[206],"Disease":[207],"Network":[208],"(UDN)":[209],"Patient":[210],"cases.":[211],"VUStruct-leveraged":[212],"hypotheses":[213],"have":[214],"often":[215],"informed":[216,252],"their":[219,238],"consideration":[220],"additional":[222],"patient":[223],"testing,":[224],"report":[227],"here":[228],"details":[229],"from":[230],"two":[231],"cases":[232],"where":[233],"was":[235],"key":[236],"solution.":[239],"note":[242],"successes":[243],"with":[244],"academic":[245],"collaborators,":[247],"whom":[249],"directions":[254],"both":[256],"computational":[257],"wet":[260],"lab":[261],"studies.":[262]},"counts_by_year":[{"year":2026,"cited_by_count":3},{"year":2025,"cited_by_count":3}],"updated_date":"2026-11-09T13:22:03.289127","created_date":"2024-08-09T00:00:00"}
