{"id":"https://openalex.org/W2098615689","doi":"https://doi.org/10.1002/jcc.540160414","title":"Calculating the electric potential of macromolecules: A simple method for molecular surface triangulation","display_name":"Calculating the electric potential of macromolecules: A simple method for molecular surface triangulation","publication_year":1995,"publication_date":"1995-04-01","ids":{"openalex":"https://openalex.org/W2098615689","doi":"https://doi.org/10.1002/jcc.540160414","mag":"2098615689"},"language":"en","primary_location":{"id":"doi:10.1002/jcc.540160414","is_oa":false,"landing_page_url":"https://doi.org/10.1002/jcc.540160414","pdf_url":null,"source":{"id":"https://openalex.org/S21117631","display_name":"Journal of Computational Chemistry","issn_l":"0192-8651","issn":["0192-8651","1096-987X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computational Chemistry","raw_type":"journal-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/A5108186913","display_name":"Zhexin Xiang","orcid":null},"institutions":[{"id":"https://openalex.org/I126520041","display_name":"University of Science and Technology of China","ror":"https://ror.org/04c4dkn09","country_code":"CN","type":"education","lineage":["https://openalex.org/I126520041","https://openalex.org/I19820366"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xiang Zhexin","raw_affiliation_strings":["Department of Biology, University of Science and Technology of China, Hefei, Anhui 230026, China","Department of Biology, University of Science and Technology of China, Hefei, Anhui, 230026, China"],"affiliations":[{"raw_affiliation_string":"Department of Biology, University of Science and Technology of China, Hefei, Anhui 230026, China","institution_ids":["https://openalex.org/I126520041"]},{"raw_affiliation_string":"Department of Biology, University of Science and Technology of China, Hefei, Anhui, 230026, China","institution_ids":["https://openalex.org/I126520041"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5016735111","display_name":"Yunyu Shi","orcid":"https://orcid.org/0000-0002-1348-4759"},"institutions":[{"id":"https://openalex.org/I126520041","display_name":"University of Science and Technology of China","ror":"https://ror.org/04c4dkn09","country_code":"CN","type":"education","lineage":["https://openalex.org/I126520041","https://openalex.org/I19820366"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Shi Yunyu","raw_affiliation_strings":["Department of Biology, University of Science and Technology of China, Hefei, Anhui 230026, China","Department of Biology, University of Science and Technology of China, Hefei, Anhui, 230026, China"],"affiliations":[{"raw_affiliation_string":"Department of Biology, University of Science and Technology of China, Hefei, Anhui 230026, China","institution_ids":["https://openalex.org/I126520041"]},{"raw_affiliation_string":"Department of Biology, University of Science and Technology of China, Hefei, Anhui, 230026, China","institution_ids":["https://openalex.org/I126520041"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5052225519","display_name":"Yingwu Xu","orcid":"https://orcid.org/0000-0003-3763-5838"},"institutions":[{"id":"https://openalex.org/I126520041","display_name":"University of Science and Technology of China","ror":"https://ror.org/04c4dkn09","country_code":"CN","type":"education","lineage":["https://openalex.org/I126520041","https://openalex.org/I19820366"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xu Yingwu","raw_affiliation_strings":["Center for Fundamental Physics, University of Science and Technology of China, Hefei, Anhui 230026, China","Center for Fundamental Physics, University of Science and Technology of China, Hefei, Anhui, 230026, China"],"affiliations":[{"raw_affiliation_string":"Center for Fundamental Physics, University of Science and Technology of China, Hefei, Anhui 230026, China","institution_ids":["https://openalex.org/I126520041"]},{"raw_affiliation_string":"Center for Fundamental Physics, University of Science and Technology of China, Hefei, Anhui, 230026, China","institution_ids":["https://openalex.org/I126520041"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5016735111"],"corresponding_institution_ids":["https://openalex.org/I126520041"],"apc_list":{"value":4840,"currency":"USD","value_usd":4840},"apc_paid":null,"fwci":0.7947,"has_fulltext":false,"cited_by_count":9,"citation_normalized_percentile":{"value":0.71518136,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":97,"max":99},"biblio":{"volume":"16","issue":"4","first_page":"512","last_page":"516"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9994999766349792,"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":0.9994999766349792,"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/T10407","display_name":"Lipid Membrane Structure and Behavior","score":0.9968000054359436,"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/T10923","display_name":"Force Microscopy Techniques and Applications","score":0.9965000152587891,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/triangulation","display_name":"Triangulation","score":0.8245694041252136},{"id":"https://openalex.org/keywords/cube","display_name":"Cube (algebra)","score":0.6874197721481323},{"id":"https://openalex.org/keywords/simple","display_name":"Simple (philosophy)","score":0.6375921964645386},{"id":"https://openalex.org/keywords/marching-cubes","display_name":"Marching cubes","score":0.5765559077262878},{"id":"https://openalex.org/keywords/surface","display_name":"Surface (topology)","score":0.5619454979896545},{"id":"https://openalex.org/keywords/boundary","display_name":"Boundary (topology)","score":0.5500239729881287},{"id":"https://openalex.org/keywords/reduction","display_name":"Reduction (mathematics)","score":0.5064364671707153},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.5035406947135925},{"id":"https://openalex.org/keywords/boundary-element-method","display_name":"Boundary element method","score":0.4871246814727783},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.47436079382896423},{"id":"https://openalex.org/keywords/identification","display_name":"Identification (biology)","score":0.44913047552108765},{"id":"https://openalex.org/keywords/subtilisin","display_name":"Subtilisin","score":0.4261506497859955},{"id":"https://openalex.org/keywords/finite-element-method","display_name":"Finite element method","score":0.38012033700942993},{"id":"https://openalex.org/keywords/biological-system","display_name":"Biological system","score":0.3523589074611664},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.30878204107284546},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.29664552211761475},{"id":"https://openalex.org/keywords/geometry","display_name":"Geometry","score":0.246956467628479},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.2251787781715393},{"id":"https://openalex.org/keywords/mathematical-analysis","display_name":"Mathematical analysis","score":0.1590293049812317},{"id":"https://openalex.org/keywords/structural-engineering","display_name":"Structural engineering","score":0.1536247730255127},{"id":"https://openalex.org/keywords/engineering","display_name":"Engineering","score":0.1475209891796112},{"id":"https://openalex.org/keywords/visualization","display_name":"Visualization","score":0.08258432149887085}],"concepts":[{"id":"https://openalex.org/C135981907","wikidata":"https://www.wikidata.org/wiki/Q188056","display_name":"Triangulation","level":2,"score":0.8245694041252136},{"id":"https://openalex.org/C53051483","wikidata":"https://www.wikidata.org/wiki/Q861555","display_name":"Cube (algebra)","level":2,"score":0.6874197721481323},{"id":"https://openalex.org/C2780586882","wikidata":"https://www.wikidata.org/wiki/Q7520643","display_name":"Simple (philosophy)","level":2,"score":0.6375921964645386},{"id":"https://openalex.org/C42087268","wikidata":"https://www.wikidata.org/wiki/Q1886184","display_name":"Marching cubes","level":3,"score":0.5765559077262878},{"id":"https://openalex.org/C2776799497","wikidata":"https://www.wikidata.org/wiki/Q484298","display_name":"Surface (topology)","level":2,"score":0.5619454979896545},{"id":"https://openalex.org/C62354387","wikidata":"https://www.wikidata.org/wiki/Q875399","display_name":"Boundary (topology)","level":2,"score":0.5500239729881287},{"id":"https://openalex.org/C111335779","wikidata":"https://www.wikidata.org/wiki/Q3454686","display_name":"Reduction (mathematics)","level":2,"score":0.5064364671707153},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.5035406947135925},{"id":"https://openalex.org/C63632240","wikidata":"https://www.wikidata.org/wiki/Q1935004","display_name":"Boundary element method","level":3,"score":0.4871246814727783},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.47436079382896423},{"id":"https://openalex.org/C116834253","wikidata":"https://www.wikidata.org/wiki/Q2039217","display_name":"Identification (biology)","level":2,"score":0.44913047552108765},{"id":"https://openalex.org/C2779811187","wikidata":"https://www.wikidata.org/wiki/Q423655","display_name":"Subtilisin","level":3,"score":0.4261506497859955},{"id":"https://openalex.org/C135628077","wikidata":"https://www.wikidata.org/wiki/Q220184","display_name":"Finite element method","level":2,"score":0.38012033700942993},{"id":"https://openalex.org/C186060115","wikidata":"https://www.wikidata.org/wiki/Q30336093","display_name":"Biological system","level":1,"score":0.3523589074611664},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.30878204107284546},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.29664552211761475},{"id":"https://openalex.org/C2524010","wikidata":"https://www.wikidata.org/wiki/Q8087","display_name":"Geometry","level":1,"score":0.246956467628479},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.2251787781715393},{"id":"https://openalex.org/C134306372","wikidata":"https://www.wikidata.org/wiki/Q7754","display_name":"Mathematical analysis","level":1,"score":0.1590293049812317},{"id":"https://openalex.org/C66938386","wikidata":"https://www.wikidata.org/wiki/Q633538","display_name":"Structural engineering","level":1,"score":0.1536247730255127},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.1475209891796112},{"id":"https://openalex.org/C36464697","wikidata":"https://www.wikidata.org/wiki/Q451553","display_name":"Visualization","level":2,"score":0.08258432149887085},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.0},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0},{"id":"https://openalex.org/C59822182","wikidata":"https://www.wikidata.org/wiki/Q441","display_name":"Botany","level":1,"score":0.0},{"id":"https://openalex.org/C111472728","wikidata":"https://www.wikidata.org/wiki/Q9471","display_name":"Epistemology","level":1,"score":0.0},{"id":"https://openalex.org/C138885662","wikidata":"https://www.wikidata.org/wiki/Q5891","display_name":"Philosophy","level":0,"score":0.0},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1002/jcc.540160414","is_oa":false,"landing_page_url":"https://doi.org/10.1002/jcc.540160414","pdf_url":null,"source":{"id":"https://openalex.org/S21117631","display_name":"Journal of Computational Chemistry","issn_l":"0192-8651","issn":["0192-8651","1096-987X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computational Chemistry","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[{"score":0.46000000834465027,"id":"https://metadata.un.org/sdg/11","display_name":"Sustainable cities and communities"}],"awards":[],"funders":[{"id":"https://openalex.org/F4320327331","display_name":"National Commission for Science and Technology","ror":"https://ror.org/04gm1wq32"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":17,"referenced_works":["https://openalex.org/W1979234818","https://openalex.org/W1988613096","https://openalex.org/W1997639796","https://openalex.org/W2011435358","https://openalex.org/W2019531978","https://openalex.org/W2032486811","https://openalex.org/W2036272879","https://openalex.org/W2041248383","https://openalex.org/W2068467565","https://openalex.org/W2081588627","https://openalex.org/W2111766710","https://openalex.org/W2133543883","https://openalex.org/W2161288709","https://openalex.org/W2163906551","https://openalex.org/W2229412420","https://openalex.org/W3021550876","https://openalex.org/W4233857083"],"related_works":["https://openalex.org/W2103453704","https://openalex.org/W2086518481","https://openalex.org/W2009636610","https://openalex.org/W2362049927","https://openalex.org/W1999110816","https://openalex.org/W2539584049","https://openalex.org/W2779816701","https://openalex.org/W2101711278","https://openalex.org/W2314137249","https://openalex.org/W3027426777"],"abstract_inverted_index":{"Abstract":[0],"An":[1],"improved":[2],"version":[3],"of":[4,30,78],"the":[5,27,31,40,44,47,66,73],"\u201cmarching\u2010cube\u201d":[6],"method":[7,69],"1":[8],"is":[9],"proposed":[10],"for":[11,46],"molecular":[12],"surface":[13],"triangulation.":[14],"This":[15],"new":[16],"algorithm":[17],"involves":[18],"fewer":[19],"and":[20,25,51,81],"simpler":[21],"basic":[22],"building":[23],"blocks":[24],"avoids":[26],"artificial":[28],"gaps":[29],"original":[32],"one.":[33],"Moreover,":[34],"to":[35,39,71],"make":[36],"it":[37,64],"applicable":[38],"boundary":[41,67],"element":[42,68],"method,":[43],"procedures":[45],"protein":[48],"cavity":[49],"identification":[50],"triangle":[52],"reduction":[53],"are":[54],"also":[55],"presented.":[56],"The":[57],"triangulation":[58],"procedure":[59],"was":[60],"tested":[61],"by":[62,88],"incorporating":[63],"into":[65],"(BEM)":[70],"estimate":[72],"p":[74],"K":[75],"a":[76],"values":[77],"subtilisin":[79],"BPN\u2032":[80],"bovine":[82],"trypsin":[83],"inhibitor":[84],"(BPTI).":[85],"\u00a9":[86],"1995":[87],"John":[89],"Wiley":[90],"&":[91],"Sons,":[92],"Inc.":[93]},"counts_by_year":[{"year":2026,"cited_by_count":1}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}