{"id":"https://openalex.org/W16855854","doi":"https://doi.org/10.1007/s10822-006-9052-4","title":"4-2 \u9ad8\u7b49\u5b66\u6821\u6570\u5b66\u306b\u304a\u3051\u308b\u30a2\u30eb\u30b4\u30ea\u30ba\u30e0\u6559\u80b2\u306e\u5fc5\u8981\u6027\u306b\u95a2\u3059\u308b\u8003\u5bdf(4\u6570\u5b66II\u3001\u6570\u5b66B,\u9ad8\u7b49\u5b66\u6821,\u7b2c89\u56de\u5168\u56fd\u7b97\u6570\u30fb\u6570\u5b66\u6559\u80b2\u7814\u7a76(\u9ad8\u77e5)\u5927\u4f1a\u7b2c40\u56de\u4e2d\u56fd\u30fb\u56db\u56fd\u7b97\u6570\u30fb\u6570\u5b66\u6559\u80b2\u7814\u7a76(\u9ad8\u77e5)\u5927\u4f1a\u65e5\u672c\u6570\u5b66\u6559\u80b2\u5b66\u4f1a\u7b2c89\u56de\u7dcf\u4f1a)","display_name":"4-2 \u9ad8\u7b49\u5b66\u6821\u6570\u5b66\u306b\u304a\u3051\u308b\u30a2\u30eb\u30b4\u30ea\u30ba\u30e0\u6559\u80b2\u306e\u5fc5\u8981\u6027\u306b\u95a2\u3059\u308b\u8003\u5bdf(4\u6570\u5b66II\u3001\u6570\u5b66B,\u9ad8\u7b49\u5b66\u6821,\u7b2c89\u56de\u5168\u56fd\u7b97\u6570\u30fb\u6570\u5b66\u6559\u80b2\u7814\u7a76(\u9ad8\u77e5)\u5927\u4f1a\u7b2c40\u56de\u4e2d\u56fd\u30fb\u56db\u56fd\u7b97\u6570\u30fb\u6570\u5b66\u6559\u80b2\u7814\u7a76(\u9ad8\u77e5)\u5927\u4f1a\u65e5\u672c\u6570\u5b66\u6559\u80b2\u5b66\u4f1a\u7b2c89\u56de\u7dcf\u4f1a)","publication_year":2007,"publication_date":"2007-07-29","ids":{"openalex":"https://openalex.org/W16855854","doi":"https://doi.org/10.1007/s10822-006-9052-4","mag":"16855854"},"language":"en","primary_location":{"id":"mag:16855854","is_oa":false,"landing_page_url":"http://ci.nii.ac.jp/naid/110008598946","pdf_url":null,"source":{"id":"https://openalex.org/S4306550994","display_name":"\u65e5\u672c\u6570\u5b66\u6559\u80b2\u5b66\u4f1a\u8a8c. \u81e8\u6642\u5897\u520a, \u7dcf\u4f1a\u7279\u96c6\u53f7","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"\u65e5\u672c\u6570\u5b66\u6559\u80b2\u5b66\u4f1a\u8a8c. \u81e8\u6642\u5897\u520a, \u7dcf\u4f1a\u7279\u96c6\u53f7","raw_type":null},"type":"article","indexed_in":[],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":null,"display_name":"\u6587\u5f66 \u5149\u6c38","orcid":null},"institutions":[],"countries":[],"is_corresponding":true,"raw_author_name":"\u6587\u5f66 \u5149\u6c38","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]}],"institutions":[],"countries_distinct_count":0,"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":0.00262905,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"89","issue":"4","first_page":"312","last_page":"36"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.3310999870300293,"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":0.3310999870300293,"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/T10044","display_name":"Protein Structure and Dynamics","score":0.3310999870300293,"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":0.23499999940395355,"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/environmental-science","display_name":"Environmental science","score":0.3080471158027649}],"concepts":[{"id":"https://openalex.org/C39432304","wikidata":"https://www.wikidata.org/wiki/Q188847","display_name":"Environmental science","level":0,"score":0.3080471158027649}],"mesh":[],"locations_count":1,"locations":[{"id":"mag:16855854","is_oa":false,"landing_page_url":"http://ci.nii.ac.jp/naid/110008598946","pdf_url":null,"source":{"id":"https://openalex.org/S4306550994","display_name":"\u65e5\u672c\u6570\u5b66\u6559\u80b2\u5b66\u4f1a\u8a8c. \u81e8\u6642\u5897\u520a, \u7dcf\u4f1a\u7279\u96c6\u53f7","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"\u65e5\u672c\u6570\u5b66\u6559\u80b2\u5b66\u4f1a\u8a8c. \u81e8\u6642\u5897\u520a, \u7dcf\u4f1a\u7279\u96c6\u53f7","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":[],"abstract_inverted_index":{"Finding":[0],"novel":[1,47],"lead":[2,32],"molecules":[3],"is":[4,34,83],"one":[5],"of":[6,13,63,102,108,151],"the":[7,122,136,148],"primary":[8],"goals":[9],"in":[10,60],"early":[11],"phases":[12],"drug":[14],"discovery":[15],"projects.":[16],"However,":[17],"structurally":[18,30,46],"dissimilar":[19],"compounds":[20,33],"may":[21],"exhibit":[22],"similar":[23],"biological":[24],"activity,":[25],"and":[26,29,55,78],"finding":[27,45],"new":[28],"diverse":[31],"difficult":[35],"for":[36,44,127,147],"computer":[37],"algorithms.":[38],"Molecular":[39],"energy":[40,70,88],"fields":[41,71],"are":[42,51,72],"appropriate":[43],"molecules,":[48],"but":[49],"they":[50],"demanding":[52],"to":[53,85,95,124],"calculate":[54],"this":[56],"limits":[57],"their":[58],"usefulness":[59],"virtual":[61,128,149],"screening":[62,129,150],"large":[64],"chemical":[65],"databases.":[66],"In":[67],"our":[68],"approach,":[69],"computed":[73],"only":[74],"once":[75],"per":[76,112],"superposition":[77,141],"a":[79,115],"simple":[80],"interpolation":[81],"scheme":[82],"devised":[84],"allow":[86],"coarse":[87],"field":[89],"lattices":[90],"having":[91],"fewer":[92],"grid":[93],"points":[94],"be":[96,125,144],"used":[97,126,146],"without":[98],"any":[99],"significant":[100],"loss":[101],"accuracy.":[103],"The":[104],"resulting":[105],"processing":[106],"speed":[107],"about":[109],"0.25":[110],"s":[111],"conformation":[113],"on":[114,130],"2.4":[116],"GHz":[117],"Intel":[118],"Pentium":[119],"processor":[120],"allows":[121],"method":[123],"commonly":[131],"available":[132],"desktop":[133],"machines.":[134],"Moreover,":[135],"results":[137],"indicate":[138],"that":[139],"grid-based":[140],"methods":[142],"could":[143],"efficiently":[145],"compound":[152],"libraries.":[153]},"counts_by_year":[],"updated_date":"2026-04-28T14:05:53.105641","created_date":"2016-06-24T00:00:00"}
