{"id":"https://openalex.org/W2129018018","doi":"https://doi.org/10.1186/1758-2946-5-s1-o1","title":"Targeting protein dynamics in drug design","display_name":"Targeting protein dynamics in drug design","publication_year":2013,"publication_date":"2013-03-01","ids":{"openalex":"https://openalex.org/W2129018018","doi":"https://doi.org/10.1186/1758-2946-5-s1-o1","mag":"2129018018"},"language":"en","primary_location":{"id":"doi:10.1186/1758-2946-5-s1-o1","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-5-s1-o1","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/1758-2946-5-S1-O1","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/1758-2946-5-S1-O1","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5005498993","display_name":"Rebecca C. Wade","orcid":"https://orcid.org/0000-0001-5951-8670"},"institutions":[{"id":"https://openalex.org/I71030271","display_name":"Heidelberg Institute for Theoretical Studies","ror":"https://ror.org/01f7bcy98","country_code":"DE","type":"facility","lineage":["https://openalex.org/I71030271"]},{"id":"https://openalex.org/I223822909","display_name":"Heidelberg University","ror":"https://ror.org/038t36y30","country_code":"DE","type":"education","lineage":["https://openalex.org/I223822909"]}],"countries":["DE"],"is_corresponding":true,"raw_author_name":"Rebecca C Wade","raw_affiliation_strings":["Center for Molecular Biology (ZMBH), Heidelberg University, Heidelberg, Germany","Molecular and Cellular Modeling Group, Heidelberg Institute for Theoretical Studies (HITS), Germany"],"affiliations":[{"raw_affiliation_string":"Center for Molecular Biology (ZMBH), Heidelberg University, Heidelberg, Germany","institution_ids":["https://openalex.org/I223822909"]},{"raw_affiliation_string":"Molecular and Cellular Modeling Group, Heidelberg Institute for Theoretical Studies (HITS), Germany","institution_ids":["https://openalex.org/I71030271"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5005498993"],"corresponding_institution_ids":["https://openalex.org/I223822909","https://openalex.org/I71030271"],"apc_list":{"value":1290,"currency":"GBP","value_usd":1582},"apc_paid":{"value":1290,"currency":"GBP","value_usd":1582},"fwci":0.0,"has_fulltext":true,"cited_by_count":2,"citation_normalized_percentile":{"value":0.12835752,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":94,"max":96},"biblio":{"volume":"5","issue":"S1","first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11162","display_name":"Enzyme Structure and Function","score":0.9930999875068665,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11162","display_name":"Enzyme Structure and Function","score":0.9930999875068665,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T12827","display_name":"Biochemical and Molecular Research","score":0.9908999800682068,"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/T10044","display_name":"Protein Structure and Dynamics","score":0.982200026512146,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/drug","display_name":"Drug","score":0.582140326499939},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5649281740188599},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.46744808554649353},{"id":"https://openalex.org/keywords/data-science","display_name":"Data science","score":0.3465045988559723},{"id":"https://openalex.org/keywords/pharmacology","display_name":"Pharmacology","score":0.2767563760280609},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.267680823802948},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.2655053734779358},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.09548479318618774}],"concepts":[{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.582140326499939},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5649281740188599},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.46744808554649353},{"id":"https://openalex.org/C2522767166","wikidata":"https://www.wikidata.org/wiki/Q2374463","display_name":"Data science","level":1,"score":0.3465045988559723},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.2767563760280609},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.267680823802948},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.2655053734779358},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.09548479318618774}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1186/1758-2946-5-s1-o1","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-5-s1-o1","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/1758-2946-5-S1-O1","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},{"id":"pmh:oai:europepmc.org:2605485","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3606222","pdf_url":null,"source":{"id":"https://openalex.org/S4306400806","display_name":"Europe PMC (PubMed Central)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1303153112","host_organization_name":"European Bioinformatics Institute","host_organization_lineage":["https://openalex.org/I1303153112"],"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":null,"raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1186/1758-2946-5-s1-o1","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-5-s1-o1","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/1758-2946-5-S1-O1","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2129018018.pdf","grobid_xml":"https://content.openalex.org/works/W2129018018.grobid-xml"},"referenced_works_count":3,"referenced_works":["https://openalex.org/W2019109910","https://openalex.org/W2059182780","https://openalex.org/W2101325488"],"related_works":["https://openalex.org/W2899084033","https://openalex.org/W2748952813","https://openalex.org/W2390279801","https://openalex.org/W2358668433","https://openalex.org/W2376932109","https://openalex.org/W2001405890","https://openalex.org/W2382290278","https://openalex.org/W2350741829","https://openalex.org/W2130043461","https://openalex.org/W2530322880"],"abstract_inverted_index":{"The":[0],"dynamic":[1],"nature":[2],"of":[3,18,37,39,49],"protein":[4,24],"structures":[5],"provides":[6],"challenges":[7],"and":[8,60],"opportunities":[9],"for":[10],"ligand":[11,71],"design.":[12,72],"I":[13,43],"will":[14,44],"first":[15],"discuss":[16],"some":[17],"the":[19,35,47],"different":[20],"ways":[21],"in":[22,34,56,64,70],"which":[23],"dynamics":[25],"can":[26],"be":[27,68],"targeted,":[28],"giving":[29],"examples":[30],"from":[31],"our":[32],"experience":[33],"design":[36],"inhibitors":[38],"thymidylate":[40],"synthase":[41],"[1-3].":[42],"then":[45],"describe":[46],"development":[48],"a":[50],"computational":[51],"toolbox":[52],"(TRAPP:":[53],"TRAnsient":[54],"Pockets":[55],"Proteins)":[57],"to":[58],"identify":[59],"visualize":[61],"transient":[62],"pockets":[63],"proteins":[65],"that":[66],"may":[67],"exploited":[69]},"counts_by_year":[{"year":2017,"cited_by_count":2}],"updated_date":"2026-03-16T09:10:04.655348","created_date":"2025-10-10T00:00:00"}