乐胖代购免代理版

{"id":"https://openalex.org/W2091111431","doi":"https://doi.org/10.1021/ci900345h","title":"Ligand\u2212Protein Cross-Docking with Water Molecules","display_name":"Ligand\u2212Protein Cross-Docking with Water Molecules","publication_year":2010,"publication_date":"2010-02-17","ids":{"openalex":"https://openalex.org/W2091111431","doi":"https://doi.org/10.1021/ci900345h","mag":"2091111431","pmid":"https://pubmed.ncbi.nlm.nih.gov/20158272"},"language":"en","primary_location":{"is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci900345h","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_indexed_in_scopus":true,"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":null,"is_accepted":false,"is_published":false},"type":"article","type_crossref":"journal-article","indexed_in":["crossref","pubmed"],"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/A5030863724","display_name":"Ramasamy Thilagavathi","orcid":"https://orcid.org/0000-0002-8568-3669"},"institutions":[{"id":"https://openalex.org/I205640436","display_name":"Curtin University","ror":"https://ror.org/02n415q13","country_code":"AU","type":"funder","lineage":["https://openalex.org/I205640436"]}],"countries":["AU"],"is_corresponding":false,"raw_author_name":"Ramasamy Thilagavathi","raw_affiliation_strings":["Curtin Health Innovation Research Institute, Western Australian Biomedical Research Institute, School of Pharmacy and Biomedical Sciences, Curtin University of Technology, GPO Box U1987, Perth WA 6845, Australia"],"affiliations":[{"raw_affiliation_string":"Curtin Health Innovation Research Institute, Western Australian Biomedical Research Institute, School of Pharmacy and Biomedical Sciences, Curtin University of Technology, GPO Box U1987, Perth WA 6845, Australia","institution_ids":["https://openalex.org/I205640436"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5063163513","display_name":"Ricardo L. Mancera","orcid":"https://orcid.org/0000-0002-9191-5622"},"institutions":[{"id":"https://openalex.org/I205640436","display_name":"Curtin University","ror":"https://ror.org/02n415q13","country_code":"AU","type":"funder","lineage":["https://openalex.org/I205640436"]}],"countries":["AU"],"is_corresponding":false,"raw_author_name":"Ricardo L. Mancera","raw_affiliation_strings":["Curtin Health Innovation Research Institute, Western Australian Biomedical Research Institute, School of Pharmacy and Biomedical Sciences, Curtin University of Technology, GPO Box U1987, Perth WA 6845, Australia"],"affiliations":[{"raw_affiliation_string":"Curtin Health Innovation Research Institute, Western Australian Biomedical Research Institute, School of Pharmacy and Biomedical Sciences, Curtin University of Technology, GPO Box U1987, Perth WA 6845, Australia","institution_ids":["https://openalex.org/I205640436"]}]}],"institution_assertions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":4.264,"has_fulltext":true,"fulltext_origin":"ngrams","cited_by_count":82,"citation_normalized_percentile":{"value":0.864114,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":96,"max":97},"biblio":{"volume":"50","issue":"3","first_page":"415","last_page":"421"},"is_retracted":false,"is_paratext":false,"primary_topic":{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9999,"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"}},"topics":[{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9999,"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/T11162","display_name":"Enzyme Structure and Function","score":0.9992,"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/T10211","display_name":"Computational Drug Discovery Methods","score":0.9992,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/docking","display_name":"Docking (animal)","score":0.8937452},{"id":"https://openalex.org/keywords/protein\u2013ligand-docking","display_name":"Protein\u2013ligand docking","score":0.85362506},{"id":"https://openalex.org/keywords/protein-ligand","display_name":"Protein ligand","score":0.43802866}],"concepts":[{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.8937452},{"id":"https://openalex.org/C77319485","wikidata":"https://www.wikidata.org/wiki/Q7251520","display_name":"Protein\u2013ligand docking","level":4,"score":0.85362506},{"id":"https://openalex.org/C44695244","wikidata":"https://www.wikidata.org/wiki/Q7441727","display_name":"Searching the conformational space for docking","level":3,"score":0.7409333},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.66371876},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.61539304},{"id":"https://openalex.org/C116569031","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Ligand (biochemistry)","level":3,"score":0.61477804},{"id":"https://openalex.org/C109095088","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Protein ligand","level":2,"score":0.43802866},{"id":"https://openalex.org/C51639874","wikidata":"https://www.wikidata.org/wiki/Q167149","display_name":"Plasma protein binding","level":2,"score":0.42737758},{"id":"https://openalex.org/C107824862","wikidata":"https://www.wikidata.org/wiki/Q616005","display_name":"Binding site","level":2,"score":0.42533785},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.34740978},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.33275515},{"id":"https://openalex.org/C103697762","wikidata":"https://www.wikidata.org/wiki/Q4112105","display_name":"Virtual screening","level":3,"score":0.25753725},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.25719112},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.20753574},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.1182656},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.069835395},{"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":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D014867","descriptor_name":"Water","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D019747","descriptor_name":"Aldose-Ketose Isomerases","qualifier_ui":"","qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019747","descriptor_name":"Aldose-Ketose Isomerases","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D019747","descriptor_name":"Aldose-Ketose Isomerases","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":"","qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":"","qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D018360","descriptor_name":"Crystallography, X-Ray","qualifier_ui":"","qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D050556","descriptor_name":"Fatty Acid-Binding Proteins","qualifier_ui":"","qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D050556","descriptor_name":"Fatty Acid-Binding Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D050556","descriptor_name":"Fatty Acid-Binding Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D005656","descriptor_name":"Fungal Proteins","qualifier_ui":"","qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D005656","descriptor_name":"Fungal Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D005656","descriptor_name":"Fungal Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":"","qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":"","qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":"","qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009113","descriptor_name":"Muramidase","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D009113","descriptor_name":"Muramidase","qualifier_ui":"","qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009113","descriptor_name":"Muramidase","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D017686","descriptor_name":"Oncorhynchus mykiss","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D017686","descriptor_name":"Oncorhynchus mykiss","qualifier_ui":"","qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010407","descriptor_name":"Penicillium","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D010407","descriptor_name":"Penicillium","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D010407","descriptor_name":"Penicillium","qualifier_ui":"","qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":"","qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011505","descriptor_name":"Protein-Tyrosine Kinases","qualifier_ui":"","qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011505","descriptor_name":"Protein-Tyrosine Kinases","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011505","descriptor_name":"Protein-Tyrosine Kinases","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"","qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D051381","descriptor_name":"Rats","qualifier_ui":"","qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012083","descriptor_name":"Renin","qualifier_ui":"","qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012083","descriptor_name":"Renin","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D012083","descriptor_name":"Renin","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D013302","descriptor_name":"Streptomyces","qualifier_ui":"","qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013302","descriptor_name":"Streptomyces","qualifier_ui":"Q000201","qualifier_name":"enzymology","is_major_topic":false},{"descriptor_ui":"D014867","descriptor_name":"Water","qualifier_ui":"","qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014867","descriptor_name":"Water","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false}],"locations_count":2,"locations":[{"is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci900345h","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_indexed_in_scopus":true,"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":null,"is_accepted":false,"is_published":false},{"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/20158272","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_indexed_in_scopus":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":["National Institutes of Health"],"type":"repository"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false}],"best_oa_location":null,"sustainable_development_goals":[{"display_name":"Clean water and sanitation","score":0.83,"id":"https://metadata.un.org/sdg/6"}],"grants":[],"datasets":[],"versions":[],"referenced_works_count":57,"referenced_works":["https://openalex.org/W1516871591","https://openalex.org/W1529261901","https://openalex.org/W1967850897","https://openalex.org/W1971251199","https://openalex.org/W1974422922","https://openalex.org/W1976469638","https://openalex.org/W1977436929","https://openalex.org/W1977467384","https://openalex.org/W1977743421","https://openalex.org/W1977750999","https://openalex.org/W1980530420","https://openalex.org/W1983435932","https://openalex.org/W1985588649","https://openalex.org/W1992786240","https://openalex.org/W1994144656","https://openalex.org/W1995808589","https://openalex.org/W2003486716","https://openalex.org/W2003952807","https://openalex.org/W2010416300","https://openalex.org/W2028375832","https://openalex.org/W2028957475","https://openalex.org/W2030458852","https://openalex.org/W2032456809","https://openalex.org/W2035292911","https://openalex.org/W2037732343","https://openalex.org/W2040176110","https://openalex.org/W2045110005","https://openalex.org/W2047485892","https://openalex.org/W2050456292","https://openalex.org/W2050629267","https://openalex.org/W2051551120","https://openalex.org/W2057572513","https://openalex.org/W2057846043","https://openalex.org/W2061079400","https://openalex.org/W2062378498","https://openalex.org/W2065009334","https://openalex.org/W2065057333","https://openalex.org/W2077096083","https://openalex.org/W2087186478","https://openalex.org/W2092062183","https://openalex.org/W2094083366","https://openalex.org/W2102377211","https://openalex.org/W2103080667","https://openalex.org/W2109987750","https://openalex.org/W2110414140","https://openalex.org/W2122985469","https://openalex.org/W2124126888","https://openalex.org/W2125144659","https://openalex.org/W2128653234","https://openalex.org/W2131758362","https://openalex.org/W2133634779","https://openalex.org/W2138473864","https://openalex.org/W2164646439","https://openalex.org/W2165909176","https://openalex.org/W2166430425","https://openalex.org/W2166924299","https://openalex.org/W2171068265"],"related_works":["https://openalex.org/W4310018788","https://openalex.org/W4246463539","https://openalex.org/W4235673852","https://openalex.org/W4213013656","https://openalex.org/W3043968438","https://openalex.org/W2885308902","https://openalex.org/W2152872596","https://openalex.org/W2037320233","https://openalex.org/W2031553931","https://openalex.org/W1992786240"],"abstract_inverted_index":{"The":[0],"accuracy":[1,66],"of":[2,11,17,28,47,55,82],"ligand\u2212protein":[3,29,89],"docking":[4,90],"may":[5],"be":[6],"affected":[7],"by":[8],"the":[9,15,18,52,56,80],"presence":[10],"water":[12,38,48,70,84],"molecules":[13,39,49,71,85],"on":[14,25],"surface":[16],"protein.":[19],"Cross-docking":[20],"simulations":[21],"have":[22],"been":[23],"performed":[24],"a":[26],"number":[27],"complexes":[30],"for":[31],"various":[32],"proteins":[33,57],"whose":[34],"crystal":[35],"structures":[36],"contain":[37],"in":[40,51,65,74,88],"their":[41],"binding":[42,53],"sites.":[43],"Only":[44],"common":[45],"sets":[46],"found":[50],"site":[54],"were":[58,72],"considered.":[59],"A":[60],"statistically":[61],"significant":[62],"overall":[63],"increase":[64],"was":[67],"observed":[68],"when":[69],"included":[73],"cross-docking":[75],"simulations.":[76,91],"These":[77],"results":[78],"confirm":[79],"importance":[81],"including":[83],"whenever":[86],"possible":[87]},"abstract_inverted_index_v3":null,"cited_by_api_url":"https://api.openalex.org/works?filter=cites:W2091111431","counts_by_year":[{"year":2024,"cited_by_count":2},{"year":2023,"cited_by_count":4},{"year":2022,"cited_by_count":6},{"year":2021,"cited_by_count":5},{"year":2019,"cited_by_count":6},{"year":2018,"cited_by_count":4},{"year":2017,"cited_by_count":4},{"year":2016,"cited_by_count":1},{"year":2015,"cited_by_count":13},{"year":2014,"cited_by_count":5},{"year":2013,"cited_by_count":8},{"year":2012,"cited_by_count":9}],"updated_date":"2025-03-20T11:15:05.053097","created_date":"2016-06-24"}