{"id":"https://openalex.org/W2128402268","doi":"https://doi.org/10.1093/bioinformatics/bti315","title":"Q-SiteFinder: an energy-based method for the prediction of protein-ligand binding sites","display_name":"Q-SiteFinder: an energy-based method for the prediction of protein-ligand binding sites","publication_year":2005,"publication_date":"2005-02-08","ids":{"openalex":"https://openalex.org/W2128402268","doi":"https://doi.org/10.1093/bioinformatics/bti315","mag":"2128402268","pmid":"https://pubmed.ncbi.nlm.nih.gov/15701681"},"language":"en","primary_location":{"id":"doi:10.1093/bioinformatics/bti315","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/bti315","pdf_url":"https://academic.oup.com/bioinformatics/article-pdf/21/9/1908/48972742/bioinformatics_21_9_1908.pdf","source":{"id":"https://openalex.org/S4210188263","display_name":"Computer applications in the biosciences","issn_l":"0266-7061","issn":["0266-7061","1460-2059"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"bronze","oa_url":"https://academic.oup.com/bioinformatics/article-pdf/21/9/1908/48972742/bioinformatics_21_9_1908.pdf","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5057751479","display_name":"Alasdair T. R. Laurie","orcid":null},"institutions":[{"id":"https://openalex.org/I130828816","display_name":"University of Leeds","ror":"https://ror.org/024mrxd33","country_code":"GB","type":"education","lineage":["https://openalex.org/I130828816"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"A. T. R. Laurie","raw_affiliation_strings":["School of Biochemistry and Microbiology, University of Leeds, UK","School of\u2003 Biochemistry and Microbiology, University of Leeds, Leeds LS2 9JT, UK"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Biochemistry and Microbiology, University of Leeds, UK","institution_ids":["https://openalex.org/I130828816"]},{"raw_affiliation_string":"School of\u2003 Biochemistry and Microbiology, University of Leeds, Leeds LS2 9JT, UK","institution_ids":["https://openalex.org/I130828816"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5023938993","display_name":"Robert M. Jackson","orcid":"https://orcid.org/0000-0001-5892-1193"},"institutions":[{"id":"https://openalex.org/I130828816","display_name":"University of Leeds","ror":"https://ror.org/024mrxd33","country_code":"GB","type":"education","lineage":["https://openalex.org/I130828816"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"R. M. Jackson","raw_affiliation_strings":["School of Biochemistry and Microbiology, University of Leeds, Leeds LS2 9JT, UK","School of\u2003 Biochemistry and Microbiology, University of Leeds, Leeds LS2 9JT, UK"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Biochemistry and Microbiology, University of Leeds, Leeds LS2 9JT, UK","institution_ids":["https://openalex.org/I130828816"]},{"raw_affiliation_string":"School of\u2003 Biochemistry and Microbiology, University of Leeds, Leeds LS2 9JT, UK","institution_ids":["https://openalex.org/I130828816"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":33.0585,"has_fulltext":true,"cited_by_count":1060,"citation_normalized_percentile":{"value":0.99913495,"is_in_top_1_percent":true,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":99,"max":100},"biblio":{"volume":"21","issue":"9","first_page":"1908","last_page":"1916"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.807699978351593,"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":0.807699978351593,"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/T10044","display_name":"Protein Structure and Dynamics","score":0.1298000067472458,"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/T12254","display_name":"Machine Learning in Bioinformatics","score":0.00860000029206276,"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/ligand","display_name":"Ligand (biochemistry)","score":0.5228172540664673},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5106037259101868},{"id":"https://openalex.org/keywords/energy","display_name":"Energy (signal processing)","score":0.4751812517642975},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.38178664445877075},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.3604505658149719},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.33941781520843506},{"id":"https://openalex.org/keywords/statistics","display_name":"Statistics","score":0.2577349543571472},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.21795719861984253},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.21746164560317993},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.15245786309242249}],"concepts":[{"id":"https://openalex.org/C116569031","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Ligand (biochemistry)","level":3,"score":0.5228172540664673},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5106037259101868},{"id":"https://openalex.org/C186370098","wikidata":"https://www.wikidata.org/wiki/Q442787","display_name":"Energy (signal processing)","level":2,"score":0.4751812517642975},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.38178664445877075},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.3604505658149719},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.33941781520843506},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.2577349543571472},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.21795719861984253},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.21746164560317993},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.15245786309242249},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"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":"D000595","descriptor_name":"Amino Acid Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000595","descriptor_name":"Amino Acid Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000595","descriptor_name":"Amino Acid Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004735","descriptor_name":"Energy Transfer","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004735","descriptor_name":"Energy Transfer","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004735","descriptor_name":"Energy Transfer","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008969","descriptor_name":"Molecular Sequence Data","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008969","descriptor_name":"Molecular Sequence Data","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008969","descriptor_name":"Molecular Sequence Data","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000032","qualifier_name":"analysis","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000032","qualifier_name":"analysis","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000032","qualifier_name":"analysis","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":"D016415","descriptor_name":"Sequence Alignment","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D016415","descriptor_name":"Sequence Alignment","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D016415","descriptor_name":"Sequence Alignment","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D017434","descriptor_name":"Protein Structure, Tertiary","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017434","descriptor_name":"Protein Structure, Tertiary","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017434","descriptor_name":"Protein Structure, Tertiary","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020539","descriptor_name":"Sequence Analysis, Protein","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D020539","descriptor_name":"Sequence Analysis, Protein","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D020539","descriptor_name":"Sequence Analysis, Protein","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D025941","descriptor_name":"Protein Interaction Mapping","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D025941","descriptor_name":"Protein Interaction Mapping","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D025941","descriptor_name":"Protein Interaction Mapping","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D030562","descriptor_name":"Databases, Protein","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D030562","descriptor_name":"Databases, Protein","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D030562","descriptor_name":"Databases, Protein","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1093/bioinformatics/bti315","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/bti315","pdf_url":"https://academic.oup.com/bioinformatics/article-pdf/21/9/1908/48972742/bioinformatics_21_9_1908.pdf","source":{"id":"https://openalex.org/S4210188263","display_name":"Computer applications in the biosciences","issn_l":"0266-7061","issn":["0266-7061","1460-2059"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics","raw_type":"journal-article"},{"id":"pmid:15701681","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/15701681","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":"Bioinformatics (Oxford, England)","raw_type":null}],"best_oa_location":{"id":"doi:10.1093/bioinformatics/bti315","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/bti315","pdf_url":"https://academic.oup.com/bioinformatics/article-pdf/21/9/1908/48972742/bioinformatics_21_9_1908.pdf","source":{"id":"https://openalex.org/S4210188263","display_name":"Computer applications in the biosciences","issn_l":"0266-7061","issn":["0266-7061","1460-2059"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics","raw_type":"journal-article"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/7","score":0.5099999904632568,"display_name":"Affordable and clean energy"}],"awards":[],"funders":[{"id":"https://openalex.org/F4320334629","display_name":"Biotechnology and Biological Sciences Research Council","ror":"https://ror.org/00cwqg982"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2128402268.pdf","grobid_xml":"https://content.openalex.org/works/W2128402268.grobid-xml"},"referenced_works_count":51,"referenced_works":["https://openalex.org/W16685768","https://openalex.org/W1517566065","https://openalex.org/W1584819397","https://openalex.org/W1585634379","https://openalex.org/W1964167423","https://openalex.org/W1977845138","https://openalex.org/W1983304433","https://openalex.org/W1986154009","https://openalex.org/W1988111902","https://openalex.org/W2016936988","https://openalex.org/W2019977738","https://openalex.org/W2025817850","https://openalex.org/W2030860488","https://openalex.org/W2031194866","https://openalex.org/W2031337267","https://openalex.org/W2049663171","https://openalex.org/W2053803268","https://openalex.org/W2058463742","https://openalex.org/W2059067075","https://openalex.org/W2064041448","https://openalex.org/W2064514012","https://openalex.org/W2078803528","https://openalex.org/W2078959398","https://openalex.org/W2080653934","https://openalex.org/W2081702044","https://openalex.org/W2083131582","https://openalex.org/W2085277871","https://openalex.org/W2091563009","https://openalex.org/W2100509560","https://openalex.org/W2103073125","https://openalex.org/W2103794058","https://openalex.org/W2105902442","https://openalex.org/W2116033626","https://openalex.org/W2117164735","https://openalex.org/W2119498937","https://openalex.org/W2130479394","https://openalex.org/W2137991504","https://openalex.org/W2138473864","https://openalex.org/W2142757818","https://openalex.org/W2144714500","https://openalex.org/W2146224808","https://openalex.org/W2146940292","https://openalex.org/W2155440523","https://openalex.org/W2155468472","https://openalex.org/W2158064860","https://openalex.org/W2162335096","https://openalex.org/W2165739018","https://openalex.org/W2952788061","https://openalex.org/W4235079696","https://openalex.org/W4235939487","https://openalex.org/W4256395558"],"related_works":["https://openalex.org/W4387497383","https://openalex.org/W2948807893","https://openalex.org/W2778153218","https://openalex.org/W2748952813","https://openalex.org/W1531601525","https://openalex.org/W2527526854","https://openalex.org/W2062208111","https://openalex.org/W1976181487","https://openalex.org/W1986764834","https://openalex.org/W657579294"],"abstract_inverted_index":{"MOTIVATION:":[0],"Identifying":[1],"the":[2,50,54,87,106,162,167,176,179,197,202,205,211,241],"location":[3],"of":[4,12,18,32,41,89,113,126,166,178,204,256],"ligand":[5,42,154],"binding":[6,43,67,236],"sites":[7,72,93,110,149,160,181,237],"on":[8,188],"a":[9,16,38,57,127],"protein":[10,55,189,235],"is":[11,99,122,140,207],"fundamental":[13],"importance":[14],"for":[15,92,209,215,245],"range":[17],"applications":[19],"including":[20],"molecular":[21],"docking,":[22],"de":[23,218],"novo":[24,219],"drug":[25,220],"design":[26,221],"and":[27,30,56,80,191,217,262,271],"structural":[28,231],"identification":[29],"comparison":[31],"functional":[33],"sites.":[34,68],"Here,":[35],"we":[36],"describe":[37],"new":[39],"method":[40,226],"site":[44,223],"prediction":[45,104],"called":[46],"Q-SiteFinder.":[47,118],"It":[48,156],"uses":[49,135],"interaction":[51,90],"energy":[52],"between":[53],"simple":[58],"van":[59],"der":[60],"Waals":[61],"probe":[62,71],"to":[63,76,86,183,196,249],"locate":[64],"energetically":[65],"favourable":[66,70],"Energetically":[69],"are":[73,82,192],"clustered":[74],"according":[75,85],"their":[77],"spatial":[78],"proximity":[79],"clusters":[81],"then":[83],"ranked":[84],"sum":[88],"energies":[91],"within":[94],"each":[95],"cluster.":[96],"RESULTS:":[97],"There":[98],"at":[100,269],"least":[101],"one":[102],"successful":[103],"in":[105,111,146,170,194,230],"top":[107],"three":[108],"predicted":[109,148,159,180],"90%":[112],"proteins":[114,247],"tested":[115],"when":[116],"using":[117],"This":[119],"success":[120,243],"rate":[121,244],"higher":[123],"than":[124,254],"that":[125,150,255],"commonly":[128],"used":[129],"pocket":[130,174,206],"detection":[131],"algorithm":[132],"(Pocket-Finder)":[133],"which":[134],"geometric":[136],"criteria.":[137],"Additionally,":[138],"Q-SiteFinder":[139,261],"twice":[141],"as":[142,144],"effective":[143],"Pocket-Finder":[145,263],"generating":[147],"map":[151],"accurately":[152],"onto":[153],"coordinates.":[155],"also":[157],"generates":[158],"with":[161],"lowest":[163],"average":[164],"volumes":[165,177],"methods":[168],"examined":[169],"this":[171],"study.":[172],"Unlike":[173],"detection,":[175],"appear":[182],"show":[184],"relatively":[185],"low":[186],"dependence":[187],"volume":[190,195],"similar":[193],"ligands":[198],"they":[199],"contain.":[200],"Restricting":[201],"size":[203],"important":[208],"reducing":[210],"search":[212],"space":[213],"required":[214],"docking":[216],"or":[222],"comparison.":[224],"The":[225],"can":[227],"be":[228,250],"applied":[229],"genomics":[232],"studies":[233],"where":[234],"remain":[238],"uncharacterized":[239],"since":[240],"86%":[242],"unbound":[246],"appears":[248],"only":[251],"slightly":[252],"lower":[253],"ligand-bound":[257],"proteins.":[258],"AVAILABILITY:":[259],"Both":[260],"have":[264],"been":[265],"made":[266],"available":[267],"online":[268],"http://www.bioinformatics.leeds.ac.uk/qsitefinder":[270],"http://www.bioinformatics.leeds.ac.uk/pocketfinder":[272]},"counts_by_year":[{"year":2026,"cited_by_count":10},{"year":2025,"cited_by_count":25},{"year":2024,"cited_by_count":54},{"year":2023,"cited_by_count":32},{"year":2022,"cited_by_count":35},{"year":2021,"cited_by_count":37},{"year":2020,"cited_by_count":46},{"year":2019,"cited_by_count":25},{"year":2018,"cited_by_count":31},{"year":2017,"cited_by_count":33},{"year":2016,"cited_by_count":64},{"year":2015,"cited_by_count":73},{"year":2014,"cited_by_count":106},{"year":2013,"cited_by_count":109},{"year":2012,"cited_by_count":92}],"updated_date":"2026-06-11T09:08:48.828518","created_date":"2025-10-10T00:00:00"}