{"id":"https://openalex.org/W2184646649","doi":null,"title":"Molecular Docking Improvement: Coefficient Adaptive Genetic Algorithms for Multiple Scoring Functions","display_name":"Molecular Docking Improvement: Coefficient Adaptive Genetic Algorithms for Multiple Scoring Functions","publication_year":2014,"publication_date":"2014-01-01","ids":{"openalex":"https://openalex.org/W2184646649","mag":"2184646649"},"language":"en","primary_location":{"id":"pmh:oai:doaj.org/article:3f769172b2b443deb9964de9303601a4","doi":null,"is_oa":false,"landing_page_url":"https://doaj.org/article/3f769172b2b443deb9964de9303601a4","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":"International Journal Bioautomation, Vol 18, Iss 1, Pp 5-14 (2014)","raw_type":"article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["doaj"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5100779127","display_name":"Ling Kang","orcid":"https://orcid.org/0000-0003-1004-371X","observed_orcids":["https://orcid.org/0000-0003-1004-371X"]},"institutions":[{"id":"https://openalex.org/I27357992","display_name":"Dalian University of Technology","ror":"https://ror.org/023hj5876","country_code":"CN","type":"education","lineage":["https://openalex.org/I27357992"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Ling Kang","raw_affiliation_strings":["Dalian University of Technology"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dalian University of Technology","institution_ids":["https://openalex.org/I27357992"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5009811756","display_name":"Junfeng Gu","orcid":"https://orcid.org/0000-0003-3359-1890","observed_orcids":["https://orcid.org/0000-0003-3359-1890"]},"institutions":[{"id":"https://openalex.org/I27357992","display_name":"Dalian University of Technology","ror":"https://ror.org/023hj5876","country_code":"CN","type":"education","lineage":["https://openalex.org/I27357992"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Junfeng Gu","raw_affiliation_strings":["Dalian University of Technology"],"raw_orcid":"https://orcid.org/0000-0003-3359-1890","affiliations":[{"raw_affiliation_string":"Dalian University of Technology","institution_ids":["https://openalex.org/I27357992"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101474714","display_name":"Keqiu Li","orcid":"https://orcid.org/0000-0003-3089-7907","observed_orcids":["https://orcid.org/0000-0003-3089-7907"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Keqiu Li","raw_affiliation_strings":[],"raw_orcid":"https://orcid.org/0000-0003-3089-7907","affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101894836","display_name":"Xicheng Wang","orcid":"https://orcid.org/0000-0002-2719-2538","observed_orcids":["https://orcid.org/0000-0002-2719-2538"]},"institutions":[{"id":"https://openalex.org/I27357992","display_name":"Dalian University of Technology","ror":"https://ror.org/023hj5876","country_code":"CN","type":"education","lineage":["https://openalex.org/I27357992"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xicheng Wang","raw_affiliation_strings":["Dalian University of Technology"],"raw_orcid":"https://orcid.org/0000-0002-2719-2538","affiliations":[{"raw_affiliation_string":"Dalian University of Technology","institution_ids":["https://openalex.org/I27357992"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5031829999","display_name":"Zhengfu Li","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I27357992","display_name":"Dalian University of Technology","ror":"https://ror.org/023hj5876","country_code":"CN","type":"education","lineage":["https://openalex.org/I27357992"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Zhengfu Li","raw_affiliation_strings":["Dalian University of Technology"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dalian University of Technology","institution_ids":["https://openalex.org/I27357992"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.0,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9980000257492065,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9980000257492065,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.0007999999797903001,"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/T11908","display_name":"Protein Interaction Studies and Fluorescence Analysis","score":9.999999747378752e-05,"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/molecular-docking","display_name":"molecular docking","score":0.9909999966621399},{"id":"https://openalex.org/keywords/knowledge-based-scoring","display_name":"knowledge-based scoring","score":0.871999979019165},{"id":"https://openalex.org/keywords/hydrophobic-interactions","display_name":"hydrophobic interactions","score":0.6880000233650208},{"id":"https://openalex.org/keywords/protein-ligand-complex","display_name":"protein-ligand complex","score":0.7409999966621399},{"id":"https://openalex.org/keywords/genetic-algorithm","display_name":"genetic algorithm","score":0.7829999923706055},{"id":"https://openalex.org/keywords/multi-population-evolution","display_name":"multi-population evolution","score":0.9660000205039978},{"id":"https://openalex.org/keywords/docking-accuracy","display_name":"docking accuracy","score":0.9509999752044678}],"concepts":[{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.6905213594436646},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.5352243781089783},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.4974367916584015},{"id":"https://openalex.org/C106301342","wikidata":"https://www.wikidata.org/wiki/Q4117933","display_name":"Entropy (arrow of time)","level":2,"score":0.4329468011856079},{"id":"https://openalex.org/C22679943","wikidata":"https://www.wikidata.org/wiki/Q159375","display_name":"Standard deviation","level":2,"score":0.42206817865371704},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.33765193819999695},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.3104512095451355},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.13404548168182373},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.0},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"pmh:oai:doaj.org/article:3f769172b2b443deb9964de9303601a4","doi":null,"is_oa":false,"landing_page_url":"https://doaj.org/article/3f769172b2b443deb9964de9303601a4","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":"International Journal Bioautomation, Vol 18, Iss 1, Pp 5-14 (2014)","raw_type":"article"},{"id":"mag:2184646649","doi":null,"is_oa":false,"landing_page_url":"http://or.nsfc.gov.cn/bitstream/00001903-5/189117/1/1000008981700.pdf","pdf_url":null,"source":null,"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":21,"referenced_works":["https://openalex.org/W1596348044","https://openalex.org/W1973974137","https://openalex.org/W1974809008","https://openalex.org/W1985588649","https://openalex.org/W1988744515","https://openalex.org/W1988791547","https://openalex.org/W1995875735","https://openalex.org/W2035292911","https://openalex.org/W2050456292","https://openalex.org/W2051219232","https://openalex.org/W2058252802","https://openalex.org/W2089078246","https://openalex.org/W2093426296","https://openalex.org/W2099111195","https://openalex.org/W2107506448","https://openalex.org/W2128332459","https://openalex.org/W2133282230","https://openalex.org/W2135817448","https://openalex.org/W2151942123","https://openalex.org/W2155524113","https://openalex.org/W2171234651"],"related_works":["https://openalex.org/W2036946056","https://openalex.org/W2573184620","https://openalex.org/W2127358457","https://openalex.org/W3096557454","https://openalex.org/W2058252802","https://openalex.org/W2382297661","https://openalex.org/W2901515959","https://openalex.org/W2068468142","https://openalex.org/W2043855224","https://openalex.org/W2228121058"],"abstract_inverted_index":{"In":[0,55,133],"this":[1],"paper,":[2],"a":[3,104],"coefficient":[4],"adaptive":[5,51],"scoring":[6,21,26,65,71,144],"method":[7,156],"of":[8,40,47,112,142,164,180],"molecular":[9,95],"docking":[10,16,60,126,152],"is":[11,67,87,190],"presented":[12],"to":[13,57,89,138,175],"improve":[14,58],"the":[15,36,59,76,91,99,113,125,129,140,147,154,165,167,181],"accuracy":[17,61,127],"with":[18,43,75,83,107,149],"multiple":[19],"available":[20,115],"functions.":[22],"Based":[23],"on":[24],"force-field":[25,131],"function,":[27],"we":[28,101],"considered":[29],"hydrophobic":[30],"and":[31,62,79],"deformation":[32],"as":[33,69],"well":[34],"in":[35,52],"proposed":[37,155],"method,":[38,100],"Instead":[39],"simple":[41],"combination":[42],"fixed":[44],"weights,":[45],"coefficients":[46],"each":[48],"factor":[49],"are":[50],"searching":[53,81],"procedure.":[54],"order":[56],"stability,":[63],"knowledge-based":[64],"function":[66],"used":[68,88],"another":[70],"factor.":[72],"Genetic":[73],"algorithm":[74],"multi-population":[77],"evolution":[78],"entropy-based":[80],"technique":[82],"narrowing":[84],"down":[85],"space":[86],"solve":[90],"optimization":[92],"model":[93],"for":[94],"docking.":[96],"To":[97],"evaluate":[98],"carried":[102],"out":[103],"numerical":[105],"experiment":[106],"134":[108],"protein-":[109],"ligand":[110],"complexes":[111],"publicly":[114],"GOLD":[116],"test":[117],"set.":[118],"The":[119,184],"results":[120,169],"validated":[121],"that":[122],"it":[123],"improved":[124],"over":[128],"individual":[130,143],"scoring.":[132],"addition,":[134],"analyses":[135],"were":[136,170],"given":[137],"show":[139],"disadvantage":[141],"model.":[145],"Through":[146],"comparison":[148],"other":[150],"popular":[151],"software,":[153],"showed":[157],"higher":[158],"accuracy.":[159],"Among":[160],"more":[161],"than":[162],"77%":[163],"complexes,":[166],"docked":[168],"within":[171],"1.0":[172],"\u00c5":[173],"according":[174],"Root-":[176],"Mean-Square":[177],"Deviation":[178],"(RMSD)":[179],"X-ray":[182],"structure.":[183],"average":[185],"computing":[186],"time":[187],"obtained":[188],"here":[189],"563.9":[191],"s.":[192]},"counts_by_year":[],"updated_date":"2026-11-08T12:12:28.789561","created_date":"2016-06-24T00:00:00"}