{"id":"https://openalex.org/W2059921491","doi":"https://doi.org/10.1021/ci400040d","title":"Docking Challenge: Protein Sampling and Molecular Docking Performance","display_name":"Docking Challenge: Protein Sampling and Molecular Docking Performance","publication_year":2013,"publication_date":"2013-03-26","ids":{"openalex":"https://openalex.org/W2059921491","doi":"https://doi.org/10.1021/ci400040d","mag":"2059921491","pmid":"https://pubmed.ncbi.nlm.nih.gov/23530568"},"language":"en","primary_location":{"id":"doi:10.1021/ci400040d","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci400040d","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/3755091","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5033696893","display_name":"Khaled M. Elokely","orcid":"https://orcid.org/0000-0002-2394-021X"},"institutions":[{"id":"https://openalex.org/I368840534","display_name":"University of Mississippi","ror":"https://ror.org/02teq1165","country_code":"US","type":"education","lineage":["https://openalex.org/I368840534","https://openalex.org/I4210141039"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Khaled M. Elokely","raw_affiliation_strings":["Department\rof Medicinal Chemistry,\rSchool of Pharmacy, University of Mississippi, University, Mississippi 38677, United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department\rof Medicinal Chemistry,\rSchool of Pharmacy, University of Mississippi, University, Mississippi 38677, United States","institution_ids":["https://openalex.org/I368840534"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5055907201","display_name":"Robert J. Doerksen","orcid":"https://orcid.org/0000-0002-3789-1842"},"institutions":[{"id":"https://openalex.org/I368840534","display_name":"University of Mississippi","ror":"https://ror.org/02teq1165","country_code":"US","type":"education","lineage":["https://openalex.org/I368840534","https://openalex.org/I4210141039"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Robert J. Doerksen","raw_affiliation_strings":["Department\rof Medicinal Chemistry,\rSchool of Pharmacy, University of Mississippi, University, Mississippi 38677, United States","Research Institute of Pharmaceutical\rSciences, School of Pharmacy, University of Mississippi, University, Mississippi 38677, United States","Research Institute of Pharmaceutical#R#Sciences, School of Pharmacy, University of Mississippi, University, Mississippi 38677, United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department\rof Medicinal Chemistry,\rSchool of Pharmacy, University of Mississippi, University, Mississippi 38677, United States","institution_ids":["https://openalex.org/I368840534"]},{"raw_affiliation_string":"Research Institute of Pharmaceutical\rSciences, School of Pharmacy, University of Mississippi, University, Mississippi 38677, United States","institution_ids":["https://openalex.org/I368840534"]},{"raw_affiliation_string":"Research Institute of Pharmaceutical#R#Sciences, School of Pharmacy, University of Mississippi, University, Mississippi 38677, United States","institution_ids":["https://openalex.org/I368840534"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5033696893"],"corresponding_institution_ids":["https://openalex.org/I368840534"],"apc_list":null,"apc_paid":null,"fwci":13.405,"has_fulltext":false,"cited_by_count":278,"citation_normalized_percentile":{"value":0.99122474,"is_in_top_1_percent":true,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":96,"max":100},"biblio":{"volume":"53","issue":"8","first_page":"1934","last_page":"1945"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9998999834060669,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9998999834060669,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11882","display_name":"Plant biochemistry and biosynthesis","score":0.9677000045776367,"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/T10274","display_name":"Synthesis and biological activity","score":0.9613999724388123,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/docking","display_name":"Docking (animal)","score":0.8887414932250977},{"id":"https://openalex.org/keywords/virtual-screening","display_name":"Virtual screening","score":0.7730839252471924},{"id":"https://openalex.org/keywords/searching-the-conformational-space-for-docking","display_name":"Searching the conformational space for docking","score":0.7212672233581543},{"id":"https://openalex.org/keywords/protein\u2013ligand-docking","display_name":"Protein\u2013ligand docking","score":0.7072605490684509},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5298673510551453},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.5220208764076233},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.4408630132675171},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.41694965958595276},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.327489972114563},{"id":"https://openalex.org/keywords/protein-structure","display_name":"Protein structure","score":0.32548895478248596},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.24588415026664734},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.15382513403892517},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.11513027548789978}],"concepts":[{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.8887414932250977},{"id":"https://openalex.org/C103697762","wikidata":"https://www.wikidata.org/wiki/Q4112105","display_name":"Virtual screening","level":3,"score":0.7730839252471924},{"id":"https://openalex.org/C44695244","wikidata":"https://www.wikidata.org/wiki/Q7441727","display_name":"Searching the conformational space for docking","level":3,"score":0.7212672233581543},{"id":"https://openalex.org/C77319485","wikidata":"https://www.wikidata.org/wiki/Q7251520","display_name":"Protein\u2013ligand docking","level":4,"score":0.7072605490684509},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5298673510551453},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.5220208764076233},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.4408630132675171},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.41694965958595276},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.327489972114563},{"id":"https://openalex.org/C47701112","wikidata":"https://www.wikidata.org/wiki/Q735188","display_name":"Protein structure","level":2,"score":0.32548895478248596},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.24588415026664734},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.15382513403892517},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.11513027548789978},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.0},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004353","descriptor_name":"Drug Evaluation, Preclinical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004353","descriptor_name":"Drug Evaluation, Preclinical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004353","descriptor_name":"Drug Evaluation, Preclinical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004353","descriptor_name":"Drug Evaluation, Preclinical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014584","descriptor_name":"User-Computer Interface","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014584","descriptor_name":"User-Computer Interface","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014584","descriptor_name":"User-Computer Interface","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014584","descriptor_name":"User-Computer Interface","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D062313","descriptor_name":"Databases, Pharmaceutical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062313","descriptor_name":"Databases, Pharmaceutical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062313","descriptor_name":"Databases, Pharmaceutical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062313","descriptor_name":"Databases, Pharmaceutical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":4,"locations":[{"id":"doi:10.1021/ci400040d","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci400040d","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:23530568","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/23530568","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:europepmc.org:3109142","is_oa":false,"landing_page_url":"http://europepmc.org/articles/PMC3755091","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":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"Text"},{"id":"pmh:oai:pubmedcentral.nih.gov:3755091","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3755091","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,"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:3755091","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3755091","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,"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":[{"display_name":"Clean water and sanitation","score":0.6499999761581421,"id":"https://metadata.un.org/sdg/6"}],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":58,"referenced_works":["https://openalex.org/W255996521","https://openalex.org/W1502285099","https://openalex.org/W1516514628","https://openalex.org/W1605578858","https://openalex.org/W1656114533","https://openalex.org/W1966142937","https://openalex.org/W1973191530","https://openalex.org/W1974809008","https://openalex.org/W1978171318","https://openalex.org/W1978763597","https://openalex.org/W1978809115","https://openalex.org/W1984981677","https://openalex.org/W1985588649","https://openalex.org/W1988437166","https://openalex.org/W1988744515","https://openalex.org/W2001586003","https://openalex.org/W2003356525","https://openalex.org/W2005817231","https://openalex.org/W2008732224","https://openalex.org/W2012084558","https://openalex.org/W2020040806","https://openalex.org/W2020450593","https://openalex.org/W2023313378","https://openalex.org/W2029181178","https://openalex.org/W2033671450","https://openalex.org/W2038542598","https://openalex.org/W2042129725","https://openalex.org/W2043668344","https://openalex.org/W2043855224","https://openalex.org/W2050456292","https://openalex.org/W2050992060","https://openalex.org/W2051060071","https://openalex.org/W2057846043","https://openalex.org/W2061583504","https://openalex.org/W2067673704","https://openalex.org/W2068672372","https://openalex.org/W2071579644","https://openalex.org/W2072180710","https://openalex.org/W2072682248","https://openalex.org/W2076154818","https://openalex.org/W2078374001","https://openalex.org/W2085564033","https://openalex.org/W2093426296","https://openalex.org/W2094162409","https://openalex.org/W2103591844","https://openalex.org/W2106383417","https://openalex.org/W2108257090","https://openalex.org/W2109824815","https://openalex.org/W2119174232","https://openalex.org/W2125792789","https://openalex.org/W2125893327","https://openalex.org/W2127290087","https://openalex.org/W2129153475","https://openalex.org/W2130159206","https://openalex.org/W2130479394","https://openalex.org/W2150618478","https://openalex.org/W2152964937","https://openalex.org/W2915932733"],"related_works":["https://openalex.org/W4235673852","https://openalex.org/W4213013656","https://openalex.org/W2037320233","https://openalex.org/W4246463539","https://openalex.org/W4310018788","https://openalex.org/W3043968438","https://openalex.org/W2057846043","https://openalex.org/W2336040088","https://openalex.org/W1974422922","https://openalex.org/W4309353019"],"abstract_inverted_index":{"Computational":[0],"tools":[1],"are":[2,30,101],"essential":[3],"in":[4,10,41,58,61,70,108,168],"the":[5,16,62,98,109,113,118,134,185,224],"drug":[6],"design":[7],"process,":[8],"especially":[9],"order":[11],"to":[12,39,74,105,132,152,155,158,164,170,198,220],"take":[13],"advantage":[14],"of":[15,19,35,48,51,85,87,97,121,136,139,144,196,226],"increasing":[17],"numbers":[18],"solved":[20],"X-ray":[21],"and":[22,38,56,92,142,163,178,187,211],"NMR":[23],"protein-ligand":[24,36],"structures.":[25],"Nowadays,":[26],"molecular":[27,71],"docking":[28,72,110,115,150,190],"methods":[29],"routinely":[31],"used":[32],"for":[33,67,174,184],"prediction":[34],"interactions":[37],"aid":[40],"selecting":[42],"potent":[43],"molecules":[44,91,148],"as":[45,80],"a":[46,129,194],"part":[47],"virtual":[49,122],"screening":[50,123],"large":[52],"databases.":[53],"The":[54,83],"improvements":[55],"advances":[57],"computational":[59],"capacity":[60],"past":[63],"decade":[64],"have":[65],"allowed":[66],"further":[68],"developments":[69],"algorithms":[73,191],"address":[75,133],"more":[76],"complicated":[77],"aspects":[78,138],"such":[79],"protein":[81,140,199],"flexibility.":[82],"effects":[84,135],"incorporation":[86],"active":[88,145],"site":[89,100,146],"water":[90,147],"implicit":[93],"or":[94],"explicit":[95],"solvation":[96],"binding":[99],"other":[102],"relevant":[103],"issues":[104],"be":[106,156],"addressed":[107],"procedures.":[111],"Using":[112],"right":[114,119],"algorithm":[116],"at":[117],"stage":[120],"is":[124,228],"most":[125],"important.":[126,229],"We":[127,180],"report":[128],"staged":[130],"study":[131],"various":[137],"flexibility":[141],"inclusion":[143],"on":[149],"effectiveness":[151],"retrieve":[153],"(and":[154],"able":[157],"predict)":[159],"correct":[160],"ligand":[161,186],"poses":[162],"rank":[165],"docked":[166],"ligands":[167],"relation":[169],"their":[171],"biological":[172],"activity":[173],"CHK1,":[175],"ERK2,":[176],"LpxC,":[177],"UPA.":[179],"generated":[181],"multiple":[182,212],"conformers":[183],"compared":[188],"different":[189],"that":[192,223],"use":[193],"variety":[195],"approaches":[197],"flexibility,":[200],"including":[201],"rigid":[202],"receptor,":[203,205],"soft":[204],"flexible":[206],"side":[207],"chains,":[208],"induced":[209],"fit,":[210],"structure":[213],"algorithms.":[214],"Docking":[215],"accuracy":[216],"varied":[217],"from":[218],"1%":[219],"84%,":[221],"demonstrating":[222],"choice":[225],"method":[227]},"counts_by_year":[{"year":2026,"cited_by_count":3},{"year":2025,"cited_by_count":23},{"year":2024,"cited_by_count":38},{"year":2023,"cited_by_count":32},{"year":2022,"cited_by_count":38},{"year":2021,"cited_by_count":29},{"year":2020,"cited_by_count":30},{"year":2019,"cited_by_count":16},{"year":2018,"cited_by_count":20},{"year":2017,"cited_by_count":12},{"year":2016,"cited_by_count":16},{"year":2015,"cited_by_count":12},{"year":2014,"cited_by_count":5},{"year":2013,"cited_by_count":3}],"updated_date":"2026-05-08T15:41:06.802602","created_date":"2025-10-10T00:00:00"}
