{"id":"https://openalex.org/W1991384258","doi":"https://doi.org/10.1145/1143997.1144287","title":"Multi-objective optimisation of the protein-ligand docking problem in drug discovery","display_name":"Multi-objective optimisation of the protein-ligand docking problem in drug discovery","publication_year":2006,"publication_date":"2006-07-08","ids":{"openalex":"https://openalex.org/W1991384258","doi":"https://doi.org/10.1145/1143997.1144287","mag":"1991384258"},"language":"en","primary_location":{"id":"doi:10.1145/1143997.1144287","is_oa":false,"landing_page_url":"https://doi.org/10.1145/1143997.1144287","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the 8th annual conference on Genetic and evolutionary computation","raw_type":"proceedings-article"},"type":"article","indexed_in":["crossref"],"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/A5082549118","display_name":"Abiola Oduguwa","orcid":null},"institutions":[{"id":"https://openalex.org/I82284825","display_name":"Cranfield University","ror":"https://ror.org/05cncd958","country_code":"GB","type":"education","lineage":["https://openalex.org/I82284825"]}],"countries":["GB"],"is_corresponding":true,"raw_author_name":"A. Oduguwa","raw_affiliation_strings":["Cranfield University, Cranfield, UK"],"affiliations":[{"raw_affiliation_string":"Cranfield University, Cranfield, UK","institution_ids":["https://openalex.org/I82284825"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5066657755","display_name":"Ashutosh Tiwari","orcid":"https://orcid.org/0000-0002-6197-1519"},"institutions":[{"id":"https://openalex.org/I82284825","display_name":"Cranfield University","ror":"https://ror.org/05cncd958","country_code":"GB","type":"education","lineage":["https://openalex.org/I82284825"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"A. Tiwari","raw_affiliation_strings":["Cranfield University, Cranfield, UK"],"affiliations":[{"raw_affiliation_string":"Cranfield University, Cranfield, UK","institution_ids":["https://openalex.org/I82284825"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5108641142","display_name":"Simona Maria Fiorentino","orcid":null},"institutions":[{"id":"https://openalex.org/I82284825","display_name":"Cranfield University","ror":"https://ror.org/05cncd958","country_code":"GB","type":"education","lineage":["https://openalex.org/I82284825"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"S. Fiorentino","raw_affiliation_strings":["Cranfield University, Cranfield, UK"],"affiliations":[{"raw_affiliation_string":"Cranfield University, Cranfield, UK","institution_ids":["https://openalex.org/I82284825"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5024454586","display_name":"Rajkumar Roy","orcid":"https://orcid.org/0000-0001-5491-7437"},"institutions":[{"id":"https://openalex.org/I82284825","display_name":"Cranfield University","ror":"https://ror.org/05cncd958","country_code":"GB","type":"education","lineage":["https://openalex.org/I82284825"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"R. Roy","raw_affiliation_strings":["Cranfield University, Cranfield, UK"],"affiliations":[{"raw_affiliation_string":"Cranfield University, Cranfield, UK","institution_ids":["https://openalex.org/I82284825"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5082549118"],"corresponding_institution_ids":["https://openalex.org/I82284825"],"apc_list":null,"apc_paid":null,"fwci":1.0112,"has_fulltext":false,"cited_by_count":16,"citation_normalized_percentile":{"value":0.75536006,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":96},"biblio":{"volume":null,"issue":null,"first_page":"1793","last_page":"1800"},"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/T12856","display_name":"Transgenic Plants and Applications","score":0.9724000096321106,"subfield":{"id":"https://openalex.org/subfields/1305","display_name":"Biotechnology"},"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/T11663","display_name":"Viral Infectious Diseases and Gene Expression in Insects","score":0.9692000150680542,"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-discovery","display_name":"Drug discovery","score":0.799599289894104},{"id":"https://openalex.org/keywords/safer","display_name":"SAFER","score":0.6499471068382263},{"id":"https://openalex.org/keywords/docking","display_name":"Docking (animal)","score":0.6369577646255493},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.6197754144668579},{"id":"https://openalex.org/keywords/pipeline","display_name":"Pipeline (software)","score":0.5252123475074768},{"id":"https://openalex.org/keywords/pharmaceutical-industry","display_name":"Pharmaceutical industry","score":0.5246990919113159},{"id":"https://openalex.org/keywords/drug","display_name":"Drug","score":0.4869941174983978},{"id":"https://openalex.org/keywords/protein\u2013ligand-docking","display_name":"Protein\u2013ligand docking","score":0.46265751123428345},{"id":"https://openalex.org/keywords/drug-development","display_name":"Drug development","score":0.4116297662258148},{"id":"https://openalex.org/keywords/risk-analysis","display_name":"Risk analysis (engineering)","score":0.3788371682167053},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.34947896003723145},{"id":"https://openalex.org/keywords/biochemical-engineering","display_name":"Biochemical engineering","score":0.3435576558113098},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.3251592516899109},{"id":"https://openalex.org/keywords/virtual-screening","display_name":"Virtual screening","score":0.3182322680950165},{"id":"https://openalex.org/keywords/engineering","display_name":"Engineering","score":0.2580806612968445},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.18867948651313782},{"id":"https://openalex.org/keywords/pharmacology","display_name":"Pharmacology","score":0.1274322271347046},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.09433403611183167},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.08148622512817383}],"concepts":[{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.799599289894104},{"id":"https://openalex.org/C2776654903","wikidata":"https://www.wikidata.org/wiki/Q2601463","display_name":"SAFER","level":2,"score":0.6499471068382263},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.6369577646255493},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6197754144668579},{"id":"https://openalex.org/C43521106","wikidata":"https://www.wikidata.org/wiki/Q2165493","display_name":"Pipeline (software)","level":2,"score":0.5252123475074768},{"id":"https://openalex.org/C2779652045","wikidata":"https://www.wikidata.org/wiki/Q507443","display_name":"Pharmaceutical industry","level":2,"score":0.5246990919113159},{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.4869941174983978},{"id":"https://openalex.org/C77319485","wikidata":"https://www.wikidata.org/wiki/Q7251520","display_name":"Protein\u2013ligand docking","level":4,"score":0.46265751123428345},{"id":"https://openalex.org/C64903051","wikidata":"https://www.wikidata.org/wiki/Q2198549","display_name":"Drug development","level":3,"score":0.4116297662258148},{"id":"https://openalex.org/C112930515","wikidata":"https://www.wikidata.org/wiki/Q4389547","display_name":"Risk analysis (engineering)","level":1,"score":0.3788371682167053},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.34947896003723145},{"id":"https://openalex.org/C183696295","wikidata":"https://www.wikidata.org/wiki/Q2487696","display_name":"Biochemical engineering","level":1,"score":0.3435576558113098},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.3251592516899109},{"id":"https://openalex.org/C103697762","wikidata":"https://www.wikidata.org/wiki/Q4112105","display_name":"Virtual screening","level":3,"score":0.3182322680950165},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.2580806612968445},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.18867948651313782},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.1274322271347046},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.09433403611183167},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.08148622512817383},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0},{"id":"https://openalex.org/C38652104","wikidata":"https://www.wikidata.org/wiki/Q3510521","display_name":"Computer security","level":1,"score":0.0},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1145/1143997.1144287","is_oa":false,"landing_page_url":"https://doi.org/10.1145/1143997.1144287","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the 8th annual conference on Genetic and evolutionary computation","raw_type":"proceedings-article"},{"id":"pmh:oai:CiteSeerX.psu:10.1.1.421.1433","is_oa":false,"landing_page_url":"http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.421.1433","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"http://www.cs.bham.ac.uk/~wbl/biblio/gecco2006/docs/p1793.pdf","raw_type":"text"}],"best_oa_location":null,"sustainable_development_goals":[{"score":0.44999998807907104,"id":"https://metadata.un.org/sdg/9","display_name":"Industry, innovation and infrastructure"}],"awards":[],"funders":[{"id":"https://openalex.org/F4320320343","display_name":"Cranfield University","ror":"https://ror.org/05cncd958"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":24,"referenced_works":["https://openalex.org/W638623075","https://openalex.org/W1225052708","https://openalex.org/W1495424747","https://openalex.org/W1549148204","https://openalex.org/W1585090495","https://openalex.org/W1595498733","https://openalex.org/W1797415636","https://openalex.org/W1986240377","https://openalex.org/W2000680514","https://openalex.org/W2012519948","https://openalex.org/W2041206203","https://openalex.org/W2047509756","https://openalex.org/W2050456292","https://openalex.org/W2062470622","https://openalex.org/W2067872997","https://openalex.org/W2068115563","https://openalex.org/W2074231493","https://openalex.org/W2089865441","https://openalex.org/W2153657185","https://openalex.org/W2482550502","https://openalex.org/W2768565525","https://openalex.org/W2904250082","https://openalex.org/W3023540311","https://openalex.org/W3165931875"],"related_works":["https://openalex.org/W2057846043","https://openalex.org/W2336040088","https://openalex.org/W2208175234","https://openalex.org/W2422751523","https://openalex.org/W2100241209","https://openalex.org/W2001586003","https://openalex.org/W2027065525","https://openalex.org/W3015273333","https://openalex.org/W2750247885","https://openalex.org/W2078142106"],"abstract_inverted_index":{"The":[0,21,112],"pharmaceutical":[1],"industry":[2,22,64],"is":[3,65],"facing":[4],"an":[5],"ever-increasing":[6],"demand":[7],"to":[8,133],"discover":[9],"novel":[10],"drugs":[11,47],"that":[12,70],"are":[13,48,153],"more":[14],"effective":[15],"and":[16,31,120,125,143],"safer":[17],"than":[18],"existing":[19,148],"ones.":[20],"faces":[23],"huge":[24],"problem":[25],"in":[26,74,84,109],"improving":[27],"its":[28,144],"drug":[29,56,80,122,151],"discovery":[30,57,123],"development":[32],"processes":[33],"since":[34],"formerly":[35],"used":[36,154],"methods":[37],"have":[38],"shown":[39],"their":[40],"limits.":[41],"Additionally,":[42],"tests":[43],"for":[44,67,104,138,150,155],"safety":[45],"of":[46,54,60,78,99,117],"performed":[49],"at":[50],"the":[51,55,63,76,85,89,97,115,121],"later":[52],"end":[53],"pipeline":[58,86],"instead":[59],"earlier.":[61],"Therefore,":[62],"looking":[66],"predictive":[68,107,131],"tools":[69],"would":[71],"be":[72],"useful":[73],"testing":[75],"behaviour":[77],"a":[79,127,130,139],"candidate":[81],"earlier":[82],"on":[83],"before":[87],"performing":[88],"large":[90],"scale":[91],"clinical":[92],"tests.":[93],"This":[94],"paper":[95,113],"explores":[96],"application":[98],"evolutionary":[100],"multi-objective":[101,118],"optimisation":[102,119],"techniques":[103],"achieving":[105],"such":[106],"work":[108],"protein-ligand":[110],"docking.":[111],"reviews":[114],"literature":[116],"process":[124],"proposes":[126],"framework":[128,156],"as":[129],"tool":[132],"calculate":[134],"good":[135],"docking":[136],"configuration":[137],"given":[140],"target":[141],"protein":[142],"binding":[145],"compound.":[146],"Finally":[147],"models":[149],"evaluation":[152],"validation.":[157]},"counts_by_year":[{"year":2024,"cited_by_count":1},{"year":2019,"cited_by_count":1},{"year":2018,"cited_by_count":2},{"year":2017,"cited_by_count":2},{"year":2016,"cited_by_count":2},{"year":2015,"cited_by_count":1},{"year":2014,"cited_by_count":2},{"year":2012,"cited_by_count":1}],"updated_date":"2026-04-04T16:13:02.066488","created_date":"2025-10-10T00:00:00"}