{"id":"https://openalex.org/W3130894852","doi":"https://doi.org/10.1021/acs.jcim.0c01451","title":"Rationalizing PROTAC-Mediated Ternary Complex Formation Using Rosetta","display_name":"Rationalizing PROTAC-Mediated Ternary Complex Formation Using Rosetta","publication_year":2021,"publication_date":"2021-02-24","ids":{"openalex":"https://openalex.org/W3130894852","doi":"https://doi.org/10.1021/acs.jcim.0c01451","mag":"3130894852","pmid":"https://pubmed.ncbi.nlm.nih.gov/33625214"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.0c01451","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.0c01451","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/8866032","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5102877989","display_name":"Nan Bai","orcid":"https://orcid.org/0000-0002-2222-0472"},"institutions":[{"id":"https://openalex.org/I1289437631","display_name":"Fox Chase Cancer Center","ror":"https://ror.org/0567t7073","country_code":"US","type":"healthcare","lineage":["https://openalex.org/I1289437631","https://openalex.org/I4210122924"]},{"id":"https://openalex.org/I146416000","display_name":"University of Kansas","ror":"https://ror.org/001tmjg57","country_code":"US","type":"education","lineage":["https://openalex.org/I146416000"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Nan Bai","raw_affiliation_strings":["Department of Molecular Biosciences, University of Kansas, Lawrence, Kansas 66045, United States","Program in Molecular Therapeutics, Fox Chase Cancer Center, Philadelphia, Pennsylvania 19111, United States"],"affiliations":[{"raw_affiliation_string":"Department of Molecular Biosciences, University of Kansas, Lawrence, Kansas 66045, United States","institution_ids":["https://openalex.org/I146416000"]},{"raw_affiliation_string":"Program in Molecular Therapeutics, Fox Chase Cancer Center, Philadelphia, Pennsylvania 19111, United States","institution_ids":["https://openalex.org/I1289437631"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5005172064","display_name":"Sven A. Miller","orcid":"https://orcid.org/0000-0001-7295-5592"},"institutions":[{"id":"https://openalex.org/I1289437631","display_name":"Fox Chase Cancer Center","ror":"https://ror.org/0567t7073","country_code":"US","type":"healthcare","lineage":["https://openalex.org/I1289437631","https://openalex.org/I4210122924"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Sven A. Miller","raw_affiliation_strings":["Program in Molecular Therapeutics, Fox Chase Cancer Center, Philadelphia, Pennsylvania 19111, United States"],"affiliations":[{"raw_affiliation_string":"Program in Molecular Therapeutics, Fox Chase Cancer Center, Philadelphia, Pennsylvania 19111, United States","institution_ids":["https://openalex.org/I1289437631"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5080616428","display_name":"Grigorii Andrianov","orcid":"https://orcid.org/0000-0001-5328-4738"},"institutions":[{"id":"https://openalex.org/I1289437631","display_name":"Fox Chase Cancer Center","ror":"https://ror.org/0567t7073","country_code":"US","type":"healthcare","lineage":["https://openalex.org/I1289437631","https://openalex.org/I4210122924"]},{"id":"https://openalex.org/I21203515","display_name":"Kazan Federal University","ror":"https://ror.org/05256ym39","country_code":"RU","type":"education","lineage":["https://openalex.org/I21203515"]}],"countries":["RU","US"],"is_corresponding":false,"raw_author_name":"Grigorii V. Andrianov","raw_affiliation_strings":["Institute of Fundamental Medicine and Biology, Kazan Federal University, Kazan 420008, Russia","Program in Molecular Therapeutics, Fox Chase Cancer Center, Philadelphia, Pennsylvania 19111, United States"],"affiliations":[{"raw_affiliation_string":"Institute of Fundamental Medicine and Biology, Kazan Federal University, Kazan 420008, Russia","institution_ids":["https://openalex.org/I21203515"]},{"raw_affiliation_string":"Program in Molecular Therapeutics, Fox Chase Cancer Center, Philadelphia, Pennsylvania 19111, United States","institution_ids":["https://openalex.org/I1289437631"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5033136055","display_name":"Max C. Yates","orcid":"https://orcid.org/0000-0002-2531-9822"},"institutions":[{"id":"https://openalex.org/I1289437631","display_name":"Fox Chase Cancer Center","ror":"https://ror.org/0567t7073","country_code":"US","type":"healthcare","lineage":["https://openalex.org/I1289437631","https://openalex.org/I4210122924"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Max Yates","raw_affiliation_strings":["Program in Molecular Therapeutics, Fox Chase Cancer Center, Philadelphia, Pennsylvania 19111, United States"],"affiliations":[{"raw_affiliation_string":"Program in Molecular Therapeutics, Fox Chase Cancer Center, Philadelphia, Pennsylvania 19111, United States","institution_ids":["https://openalex.org/I1289437631"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5016757143","display_name":"Palani Kirubakaran","orcid":"https://orcid.org/0000-0002-9749-729X"},"institutions":[{"id":"https://openalex.org/I1289437631","display_name":"Fox Chase Cancer Center","ror":"https://ror.org/0567t7073","country_code":"US","type":"healthcare","lineage":["https://openalex.org/I1289437631","https://openalex.org/I4210122924"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Palani Kirubakaran","raw_affiliation_strings":["Program in Molecular Therapeutics, Fox Chase Cancer Center, Philadelphia, Pennsylvania 19111, United States"],"affiliations":[{"raw_affiliation_string":"Program in Molecular Therapeutics, Fox Chase Cancer Center, Philadelphia, Pennsylvania 19111, United States","institution_ids":["https://openalex.org/I1289437631"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5087413939","display_name":"John Karanicolas","orcid":"https://orcid.org/0000-0003-0300-726X"},"institutions":[{"id":"https://openalex.org/I1289437631","display_name":"Fox Chase Cancer Center","ror":"https://ror.org/0567t7073","country_code":"US","type":"healthcare","lineage":["https://openalex.org/I1289437631","https://openalex.org/I4210122924"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"John Karanicolas","raw_affiliation_strings":["Program in Molecular Therapeutics, Fox Chase Cancer Center, Philadelphia, Pennsylvania 19111, United States"],"affiliations":[{"raw_affiliation_string":"Program in Molecular Therapeutics, Fox Chase Cancer Center, Philadelphia, Pennsylvania 19111, United States","institution_ids":["https://openalex.org/I1289437631"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":6,"corresponding_author_ids":["https://openalex.org/A5087413939"],"corresponding_institution_ids":["https://openalex.org/I1289437631"],"apc_list":null,"apc_paid":null,"fwci":8.7634,"has_fulltext":false,"cited_by_count":143,"citation_normalized_percentile":{"value":0.98748146,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":96,"max":100},"biblio":{"volume":"61","issue":"3","first_page":"1368","last_page":"1382"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12534","display_name":"Protein Degradation and Inhibitors","score":1.0,"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"}},"topics":[{"id":"https://openalex.org/T12534","display_name":"Protein Degradation and Inhibitors","score":1.0,"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/T11041","display_name":"Ubiquitin and proteasome pathways","score":0.9972000122070312,"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/T10649","display_name":"Multiple Myeloma Research and Treatments","score":0.9948999881744385,"subfield":{"id":"https://openalex.org/subfields/2720","display_name":"Hematology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/ternary-complex","display_name":"Ternary complex","score":0.944974422454834},{"id":"https://openalex.org/keywords/ternary-operation","display_name":"Ternary operation","score":0.6915620565414429},{"id":"https://openalex.org/keywords/linker","display_name":"Linker","score":0.6475897431373596},{"id":"https://openalex.org/keywords/ubiquitin-ligase","display_name":"Ubiquitin ligase","score":0.5565650463104248},{"id":"https://openalex.org/keywords/dna-ligase","display_name":"DNA ligase","score":0.5241789221763611},{"id":"https://openalex.org/keywords/moiety","display_name":"Moiety","score":0.5189833045005798},{"id":"https://openalex.org/keywords/complex-formation","display_name":"Complex formation","score":0.48675966262817383},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.484881728887558},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.4575554132461548},{"id":"https://openalex.org/keywords/proteolysis","display_name":"Proteolysis","score":0.4561268091201782},{"id":"https://openalex.org/keywords/target-protein","display_name":"Target protein","score":0.4182928502559662},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.3943089246749878},{"id":"https://openalex.org/keywords/combinatorial-chemistry","display_name":"Combinatorial chemistry","score":0.3621367812156677},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.28455156087875366},{"id":"https://openalex.org/keywords/ubiquitin","display_name":"Ubiquitin","score":0.23435547947883606},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.2266438901424408},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.21931269764900208},{"id":"https://openalex.org/keywords/dna","display_name":"DNA","score":0.14988988637924194}],"concepts":[{"id":"https://openalex.org/C86756495","wikidata":"https://www.wikidata.org/wiki/Q7702931","display_name":"Ternary complex","level":3,"score":0.944974422454834},{"id":"https://openalex.org/C64452783","wikidata":"https://www.wikidata.org/wiki/Q1524945","display_name":"Ternary operation","level":2,"score":0.6915620565414429},{"id":"https://openalex.org/C2780557392","wikidata":"https://www.wikidata.org/wiki/Q523796","display_name":"Linker","level":2,"score":0.6475897431373596},{"id":"https://openalex.org/C134459356","wikidata":"https://www.wikidata.org/wiki/Q4274835","display_name":"Ubiquitin ligase","level":4,"score":0.5565650463104248},{"id":"https://openalex.org/C175114707","wikidata":"https://www.wikidata.org/wiki/Q408483","display_name":"DNA ligase","level":3,"score":0.5241789221763611},{"id":"https://openalex.org/C2776568683","wikidata":"https://www.wikidata.org/wiki/Q23005640","display_name":"Moiety","level":2,"score":0.5189833045005798},{"id":"https://openalex.org/C3019440265","wikidata":"https://www.wikidata.org/wiki/Q238156","display_name":"Complex formation","level":2,"score":0.48675966262817383},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.484881728887558},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.4575554132461548},{"id":"https://openalex.org/C2781307694","wikidata":"https://www.wikidata.org/wiki/Q33123","display_name":"Proteolysis","level":3,"score":0.4561268091201782},{"id":"https://openalex.org/C2780430158","wikidata":"https://www.wikidata.org/wiki/Q7685902","display_name":"Target protein","level":3,"score":0.4182928502559662},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.3943089246749878},{"id":"https://openalex.org/C21951064","wikidata":"https://www.wikidata.org/wiki/Q899212","display_name":"Combinatorial chemistry","level":1,"score":0.3621367812156677},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.28455156087875366},{"id":"https://openalex.org/C25602115","wikidata":"https://www.wikidata.org/wiki/Q407111","display_name":"Ubiquitin","level":3,"score":0.23435547947883606},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.2266438901424408},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.21931269764900208},{"id":"https://openalex.org/C552990157","wikidata":"https://www.wikidata.org/wiki/Q7430","display_name":"DNA","level":2,"score":0.14988988637924194},{"id":"https://openalex.org/C179104552","wikidata":"https://www.wikidata.org/wiki/Q11165","display_name":"Inorganic chemistry","level":1,"score":0.0},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.0},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D012189","descriptor_name":"Retrospective Studies","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012189","descriptor_name":"Retrospective Studies","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012189","descriptor_name":"Retrospective Studies","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D044767","descriptor_name":"Ubiquitin-Protein Ligases","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D044767","descriptor_name":"Ubiquitin-Protein Ligases","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D044767","descriptor_name":"Ubiquitin-Protein Ligases","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D059748","descriptor_name":"Proteolysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D059748","descriptor_name":"Proteolysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D059748","descriptor_name":"Proteolysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":3,"locations":[{"id":"doi:10.1021/acs.jcim.0c01451","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.0c01451","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:33625214","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/33625214","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,"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":"Journal of chemical information and modeling","raw_type":null},{"id":"pmh:oai:pubmedcentral.nih.gov:8866032","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/8866032","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"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":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"J Chem Inf Model","raw_type":"Text"}],"best_oa_location":{"id":"pmh:oai:pubmedcentral.nih.gov:8866032","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/8866032","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"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":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"J Chem Inf Model","raw_type":"Text"},"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G156276794","display_name":null,"funder_award_id":"P30CA006927","funder_id":"https://openalex.org/F4320337351","funder_display_name":"National Cancer Institute"},{"id":"https://openalex.org/G1961923705","display_name":null,"funder_award_id":"R01GM123336","funder_id":"https://openalex.org/F4320337354","funder_display_name":"National Institute of General Medical Sciences"},{"id":"https://openalex.org/G3521139413","display_name":null,"funder_award_id":"DBI-1950697","funder_id":"https://openalex.org/F4320337393","funder_display_name":"Division of Chemistry"},{"id":"https://openalex.org/G6406947869","display_name":null,"funder_award_id":"CHE-1836950","funder_id":"https://openalex.org/F4320337393","funder_display_name":"Division of Chemistry"}],"funders":[{"id":"https://openalex.org/F4320337351","display_name":"National Cancer Institute","ror":"https://ror.org/040gcmg81"},{"id":"https://openalex.org/F4320337354","display_name":"National Institute of General Medical Sciences","ror":"https://ror.org/04q48ey07"},{"id":"https://openalex.org/F4320337393","display_name":"Division of Chemistry","ror":"https://ror.org/01ar8dr59"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":82,"referenced_works":["https://openalex.org/W1488181101","https://openalex.org/W1512690422","https://openalex.org/W1565539350","https://openalex.org/W1973921769","https://openalex.org/W1976946414","https://openalex.org/W1977013744","https://openalex.org/W1997952190","https://openalex.org/W2002111767","https://openalex.org/W2027065525","https://openalex.org/W2041535798","https://openalex.org/W2043526119","https://openalex.org/W2071579644","https://openalex.org/W2084778320","https://openalex.org/W2090431249","https://openalex.org/W2090958270","https://openalex.org/W2130921495","https://openalex.org/W2131441324","https://openalex.org/W2151683271","https://openalex.org/W2154626333","https://openalex.org/W2161413435","https://openalex.org/W2169678694","https://openalex.org/W2176682109","https://openalex.org/W2227431445","https://openalex.org/W2292464399","https://openalex.org/W2340678549","https://openalex.org/W2376573086","https://openalex.org/W2535482197","https://openalex.org/W2580666741","https://openalex.org/W2589026097","https://openalex.org/W2597078857","https://openalex.org/W2606439133","https://openalex.org/W2625751604","https://openalex.org/W2735419424","https://openalex.org/W2740493003","https://openalex.org/W2767251210","https://openalex.org/W2767426216","https://openalex.org/W2767856718","https://openalex.org/W2767966404","https://openalex.org/W2781383440","https://openalex.org/W2792069216","https://openalex.org/W2792397649","https://openalex.org/W2794623623","https://openalex.org/W2801986983","https://openalex.org/W2805296794","https://openalex.org/W2806672448","https://openalex.org/W2806694687","https://openalex.org/W2837034380","https://openalex.org/W2883024539","https://openalex.org/W2883182240","https://openalex.org/W2886283685","https://openalex.org/W2888598609","https://openalex.org/W2888785247","https://openalex.org/W2891648995","https://openalex.org/W2893495711","https://openalex.org/W2900888512","https://openalex.org/W2901669535","https://openalex.org/W2903291787","https://openalex.org/W2903964626","https://openalex.org/W2908027391","https://openalex.org/W2913446986","https://openalex.org/W2914587883","https://openalex.org/W2917078121","https://openalex.org/W2917565897","https://openalex.org/W2924113881","https://openalex.org/W2944245644","https://openalex.org/W2944640816","https://openalex.org/W2947122628","https://openalex.org/W2948220248","https://openalex.org/W2949458744","https://openalex.org/W2949485830","https://openalex.org/W2949862037","https://openalex.org/W2978105110","https://openalex.org/W2996636067","https://openalex.org/W2997958114","https://openalex.org/W3009753365","https://openalex.org/W3010955175","https://openalex.org/W3011847211","https://openalex.org/W3044640842","https://openalex.org/W3088011183","https://openalex.org/W3088870471","https://openalex.org/W3100538750","https://openalex.org/W3128722145"],"related_works":["https://openalex.org/W237270168","https://openalex.org/W2153500034","https://openalex.org/W2052978680","https://openalex.org/W3028717441","https://openalex.org/W2018032821","https://openalex.org/W2032238984","https://openalex.org/W2036683667","https://openalex.org/W2029940584","https://openalex.org/W299324581","https://openalex.org/W2051417522"],"abstract_inverted_index":{"Proteolysis-targeting":[0],"chimaeras":[1],"(PROTACs)":[2],"are":[3,133,176],"molecules":[4],"that":[5,154,172,188,211],"combine":[6],"a":[7,21,47,82,89,98,206,214],"target-binding":[8],"warhead":[9],"with":[10,24],"an":[11,196],"E3":[12,26],"ligase-recruiting":[13],"moiety;":[14],"by":[15,222],"drawing":[16],"the":[17,25,60,74,95,111,117,130,146,201,223,244,248],"target":[18,30,150],"protein":[19,31,112,217],"into":[20,123],"ternary":[22,84,102,131,156,202,251],"complex":[23,103,132,157,203],"ligase,":[27],"PROTACs":[28,34,144],"induce":[29],"degradation.":[32],"While":[33],"hold":[35],"exciting":[36],"potential":[37],"as":[38,42],"chemical":[39,61],"probes":[40],"and":[41,66,114,165,210,237,247],"therapeutic":[43],"agents,":[44],"development":[45],"of":[46,52,81,97,129,180,198,200,213,234,250],"PROTAC":[48,118,190,225],"typically":[49],"requires":[50],"synthesis":[51],"numerous":[53],"analogs":[54],"to":[55,72,78,109,140,161],"thoroughly":[56],"explore":[57],"variations":[58],"on":[59],"linker;":[62],"without":[63],"extensive":[64],"trial":[65],"error,":[67],"it":[68],"is":[69,159,192],"unclear":[70],"how":[71],"link":[73],"two":[75],"protein-recruiting":[76],"moieties":[77],"promote":[79,238],"formation":[80,158],"productive":[83],"complex.":[85],"Here,":[86],"we":[87,241],"describe":[88],"structure-based":[90],"computational":[91,245],"method":[92,106],"for":[93,101,168],"evaluating":[94],"suitability":[96],"given":[99],"linker":[100],"formation.":[104],"Our":[105],"uses":[107],"Rosetta":[108],"dock":[110],"components":[113],"then":[115,134],"builds":[116],"from":[119,145],"its":[120],"component":[121],"fragments":[122],"each":[124],"binding":[125,229],"mode;":[126],"complete":[127],"models":[128,249],"refined.":[135],"We":[136,152,185],"apply":[137],"this":[138],"approach":[139],"retrospectively":[141],"evaluate":[142],"multiple":[143],"literature,":[147],"spanning":[148],"diverse":[149],"proteins.":[151],"find":[153,187],"modeling":[155],"sufficient":[160],"explain":[162],"both":[163,243],"activity":[164,181,191],"selectivity":[166],"reported":[167],"these":[169,183,235],"PROTACs,":[170],"implying":[171],"other":[173],"cellular":[174],"factors":[175],"not":[177],"key":[178],"determinants":[179],"in":[182],"cases.":[184],"further":[186,239],"interpreting":[189],"best":[193],"approached":[194],"using":[195],"ensemble":[197],"structures":[199],"rather":[204],"than":[205],"single":[207],"static":[208],"conformation":[209],"members":[212],"structurally":[215],"conserved":[216],"family":[218],"can":[219],"be":[220],"recruited":[221],"same":[224],"through":[226],"vastly":[227],"different":[228],"modes.":[230],"To":[231],"encourage":[232],"adoption":[233],"methods":[236,246],"analyses,":[240],"disseminate":[242],"complexes.":[252]},"counts_by_year":[{"year":2026,"cited_by_count":5},{"year":2025,"cited_by_count":27},{"year":2024,"cited_by_count":29},{"year":2023,"cited_by_count":27},{"year":2022,"cited_by_count":36},{"year":2021,"cited_by_count":16},{"year":2020,"cited_by_count":3}],"updated_date":"2026-03-27T05:58:40.876381","created_date":"2025-10-10T00:00:00"}