{"id":"https://openalex.org/W2168775915","doi":"https://doi.org/10.1021/ci010113h","title":"A 3D Structure Database of Components from Chinese Traditional Medicinal Herbs","display_name":"A 3D Structure Database of Components from Chinese Traditional Medicinal Herbs","publication_year":2002,"publication_date":"2002-04-11","ids":{"openalex":"https://openalex.org/W2168775915","doi":"https://doi.org/10.1021/ci010113h","mag":"2168775915","pmid":"https://pubmed.ncbi.nlm.nih.gov/12086505"},"language":"en","primary_location":{"id":"doi:10.1021/ci010113h","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci010113h","pdf_url":null,"source":{"id":"https://openalex.org/S171559003","display_name":"Journal of Chemical Information and Computer Sciences","issn_l":"0095-2338","issn":["0095-2338","1520-5142"],"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 Computer Sciences","raw_type":"journal-article"},"type":"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/A5113629452","display_name":"Xuebin Qiao","orcid":null},"institutions":[{"id":"https://openalex.org/I20231570","display_name":"Peking University","ror":"https://ror.org/02v51f717","country_code":"CN","type":"education","lineage":["https://openalex.org/I20231570"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xuebin Qiao","raw_affiliation_strings":["College of Chemical and Molecular Engineering, Beida Yang ShengTang Joint Laboratory for Natural Product, Peking University, Beijing 100871, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Chemical and Molecular Engineering, Beida Yang ShengTang Joint Laboratory for Natural Product, Peking University, Beijing 100871, China","institution_ids":["https://openalex.org/I20231570"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5028525523","display_name":"Tingjun Hou","orcid":"https://orcid.org/0000-0001-7227-2580"},"institutions":[{"id":"https://openalex.org/I20231570","display_name":"Peking University","ror":"https://ror.org/02v51f717","country_code":"CN","type":"education","lineage":["https://openalex.org/I20231570"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Tingjun Hou","raw_affiliation_strings":["College of Chemical and Molecular Engineering, Beida Yang ShengTang Joint Laboratory for Natural Product, Peking University, Beijing 100871, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Chemical and Molecular Engineering, Beida Yang ShengTang Joint Laboratory for Natural Product, Peking University, Beijing 100871, China","institution_ids":["https://openalex.org/I20231570"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100642368","display_name":"Wei Zhang","orcid":"https://orcid.org/0000-0003-0178-0750"},"institutions":[{"id":"https://openalex.org/I20231570","display_name":"Peking University","ror":"https://ror.org/02v51f717","country_code":"CN","type":"education","lineage":["https://openalex.org/I20231570"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Wei Zhang","raw_affiliation_strings":["College of Chemical and Molecular Engineering, Beida Yang ShengTang Joint Laboratory for Natural Product, Peking University, Beijing 100871, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Chemical and Molecular Engineering, Beida Yang ShengTang Joint Laboratory for Natural Product, Peking University, Beijing 100871, China","institution_ids":["https://openalex.org/I20231570"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100879072","display_name":"Senli Guo","orcid":null},"institutions":[{"id":"https://openalex.org/I20231570","display_name":"Peking University","ror":"https://ror.org/02v51f717","country_code":"CN","type":"education","lineage":["https://openalex.org/I20231570"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"SenLi Guo","raw_affiliation_strings":["College of Chemical and Molecular Engineering, Beida Yang ShengTang Joint Laboratory for Natural Product, Peking University, Beijing 100871, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Chemical and Molecular Engineering, Beida Yang ShengTang Joint Laboratory for Natural Product, Peking University, Beijing 100871, China","institution_ids":["https://openalex.org/I20231570"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5103940920","display_name":"Xiaojie Xu","orcid":null},"institutions":[{"id":"https://openalex.org/I20231570","display_name":"Peking University","ror":"https://ror.org/02v51f717","country_code":"CN","type":"education","lineage":["https://openalex.org/I20231570"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xiaojie Xu","raw_affiliation_strings":["College of Chemical and Molecular Engineering, Beida Yang ShengTang Joint Laboratory for Natural Product, Peking University, Beijing 100871, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Chemical and Molecular Engineering, Beida Yang ShengTang Joint Laboratory for Natural Product, Peking University, Beijing 100871, China","institution_ids":["https://openalex.org/I20231570"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I20231570"],"apc_list":null,"apc_paid":null,"fwci":0.3435,"has_fulltext":false,"cited_by_count":97,"citation_normalized_percentile":{"value":0.59227492,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":99},"biblio":{"volume":"42","issue":"3","first_page":"481","last_page":"489"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11882","display_name":"Plant biochemistry and biosynthesis","score":0.9979000091552734,"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/T11882","display_name":"Plant biochemistry and biosynthesis","score":0.9979000091552734,"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/T10211","display_name":"Computational Drug Discovery Methods","score":0.9976999759674072,"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/T10252","display_name":"Microbial Natural Products and Biosynthesis","score":0.996399998664856,"subfield":{"id":"https://openalex.org/subfields/2736","display_name":"Pharmacology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.6813808679580688},{"id":"https://openalex.org/keywords/chinese-herbs","display_name":"Chinese herbs","score":0.6481875777244568},{"id":"https://openalex.org/keywords/medicinal-herbs","display_name":"Medicinal herbs","score":0.4856937825679779},{"id":"https://openalex.org/keywords/database","display_name":"Database","score":0.4810614585876465},{"id":"https://openalex.org/keywords/the-internet","display_name":"The Internet","score":0.45361119508743286},{"id":"https://openalex.org/keywords/information-retrieval","display_name":"Information retrieval","score":0.4259001910686493},{"id":"https://openalex.org/keywords/component","display_name":"Component (thermodynamics)","score":0.4123903512954712},{"id":"https://openalex.org/keywords/traditional-chinese-medicine","display_name":"Traditional Chinese medicine","score":0.28680261969566345},{"id":"https://openalex.org/keywords/traditional-medicine","display_name":"Traditional medicine","score":0.2565977871417999},{"id":"https://openalex.org/keywords/world-wide-web","display_name":"World Wide Web","score":0.24428746104240417},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.08697694540023804}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6813808679580688},{"id":"https://openalex.org/C2909810673","wikidata":"https://www.wikidata.org/wiki/Q261503","display_name":"Chinese herbs","level":4,"score":0.6481875777244568},{"id":"https://openalex.org/C2991655182","wikidata":"https://www.wikidata.org/wiki/Q188840","display_name":"Medicinal herbs","level":2,"score":0.4856937825679779},{"id":"https://openalex.org/C77088390","wikidata":"https://www.wikidata.org/wiki/Q8513","display_name":"Database","level":1,"score":0.4810614585876465},{"id":"https://openalex.org/C110875604","wikidata":"https://www.wikidata.org/wiki/Q75","display_name":"The Internet","level":2,"score":0.45361119508743286},{"id":"https://openalex.org/C23123220","wikidata":"https://www.wikidata.org/wiki/Q816826","display_name":"Information retrieval","level":1,"score":0.4259001910686493},{"id":"https://openalex.org/C168167062","wikidata":"https://www.wikidata.org/wiki/Q1117970","display_name":"Component (thermodynamics)","level":2,"score":0.4123903512954712},{"id":"https://openalex.org/C188947578","wikidata":"https://www.wikidata.org/wiki/Q200253","display_name":"Traditional Chinese medicine","level":3,"score":0.28680261969566345},{"id":"https://openalex.org/C556039675","wikidata":"https://www.wikidata.org/wiki/Q771035","display_name":"Traditional medicine","level":1,"score":0.2565977871417999},{"id":"https://openalex.org/C136764020","wikidata":"https://www.wikidata.org/wiki/Q466","display_name":"World Wide Web","level":1,"score":0.24428746104240417},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.08697694540023804},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","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/C204787440","wikidata":"https://www.wikidata.org/wiki/Q188504","display_name":"Alternative medicine","level":2,"score":0.0},{"id":"https://openalex.org/C142724271","wikidata":"https://www.wikidata.org/wiki/Q7208","display_name":"Pathology","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D004365","descriptor_name":"Drugs, Chinese Herbal","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D004365","descriptor_name":"Drugs, Chinese Herbal","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D004365","descriptor_name":"Drugs, Chinese Herbal","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008516","descriptor_name":"Medicine, Chinese Traditional","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008516","descriptor_name":"Medicine, Chinese Traditional","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008516","descriptor_name":"Medicine, Chinese Traditional","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016208","descriptor_name":"Databases, Factual","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D016208","descriptor_name":"Databases, Factual","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D016208","descriptor_name":"Databases, Factual","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D016247","descriptor_name":"Information Storage and Retrieval","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016247","descriptor_name":"Information Storage and Retrieval","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016247","descriptor_name":"Information Storage and Retrieval","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":3,"locations":[{"id":"doi:10.1021/ci010113h","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci010113h","pdf_url":null,"source":{"id":"https://openalex.org/S171559003","display_name":"Journal of Chemical Information and Computer Sciences","issn_l":"0095-2338","issn":["0095-2338","1520-5142"],"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 Computer Sciences","raw_type":"journal-article"},{"id":"pmid:12086505","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/12086505","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 computer sciences","raw_type":null},{"id":"pmh:oai:CiteSeerX.psu:10.1.1.89.4872","is_oa":false,"landing_page_url":"http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.89.4872","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"http://modem.ucsd.edu/htjcadd/publications/paper/68.pdf","raw_type":"text"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":14,"referenced_works":["https://openalex.org/W149072091","https://openalex.org/W1976872345","https://openalex.org/W1977608518","https://openalex.org/W1981874205","https://openalex.org/W2007869985","https://openalex.org/W2057065474","https://openalex.org/W2075796405","https://openalex.org/W2078077898","https://openalex.org/W2091937293","https://openalex.org/W2106266833","https://openalex.org/W2146265045","https://openalex.org/W2147421370","https://openalex.org/W2169550929","https://openalex.org/W4300629373"],"related_works":["https://openalex.org/W2361548809","https://openalex.org/W2417152746","https://openalex.org/W2982709555","https://openalex.org/W2382387258","https://openalex.org/W4252421739","https://openalex.org/W1035014312","https://openalex.org/W2354506086","https://openalex.org/W2350476545","https://openalex.org/W4214502381","https://openalex.org/W2391416637"],"abstract_inverted_index":{"This":[0],"article":[1],"described":[2],"a":[3,87,121],"3D":[4,25],"structure":[5,26,110],"database":[6,77,111],"of":[7,27,101,103,112],"components":[8,113],"extracted":[9,114],"from":[10,115],"Chinese":[11,116],"Traditional":[12],"Medicinal":[13],"(CTM)":[14],"herbs.":[15],"It":[16],"offers":[17],"not":[18],"only":[19],"basic":[20,39],"molecular":[21],"properties":[22],"and":[23,47,51,90],"optimized":[24],"the":[28,74,99,109,126],"compounds":[29],"but":[30],"also":[31],"detailed":[32],"information":[33],"on":[34,98],"their":[35],"herbal":[36,40],"origin,":[37],"including":[38],"category":[41],"(e.g.":[42],"English":[43],"name,":[44,46],"Latin":[45],"family),":[48],"effective":[49],"parts,":[50],"clinical":[52],"effects.":[53],"An":[54],"easy":[55],"to":[56,63],"use,":[57],"interactive":[58],"GUI":[59],"browser":[60],"allows":[61],"users":[62],"perform":[64],"various":[65],"searches":[66],"via":[67],"complex":[68],"logical":[69],"query":[70],"builder.":[71],"Combined":[72],"with":[73],"latest":[75],"network":[76,89],"engine":[78],"(MySQL),":[79],"it":[80,97],"can":[81,119],"achieve":[82],"excellent":[83],"performance":[84],"under":[85],"both":[86],"local":[88],"an":[91],"Internet":[92],"environment.":[93],"We":[94],"have":[95],"tested":[96],"design":[100],"inhibitors":[102],"NS3-NS4A":[104],"protease.":[105],"Results":[106],"show":[107],"that":[108],"medicinal":[117],"herbs":[118],"be":[120],"rich":[122],"source":[123],"in":[124],"searching":[125],"lead":[127],"compound.":[128]},"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":4},{"year":2023,"cited_by_count":5},{"year":2022,"cited_by_count":3},{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":5},{"year":2019,"cited_by_count":6},{"year":2018,"cited_by_count":12},{"year":2017,"cited_by_count":7},{"year":2016,"cited_by_count":3},{"year":2015,"cited_by_count":4},{"year":2014,"cited_by_count":4},{"year":2013,"cited_by_count":12},{"year":2012,"cited_by_count":8}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}