{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,3]],"date-time":"2026-02-03T18:05:17Z","timestamp":1770141917182,"version":"3.49.0"},"reference-count":16,"publisher":"Wiley","issue":"4","license":[{"start":{"date-parts":[[2004,9,7]],"date-time":"2004-09-07T00:00:00Z","timestamp":1094515200000},"content-version":"vor","delay-in-days":3447,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J Comput Chem"],"published-print":{"date-parts":[[1995,4]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>An improved version of the \u201cmarching\u2010cube\u201d method<jats:sup>1<\/jats:sup> is proposed for molecular surface triangulation. This new algorithm involves fewer and simpler basic building blocks and avoids the artificial gaps of the original one. Moreover, to make it applicable to the boundary element method, the procedures for the protein cavity identification and triangle reduction are also presented. The triangulation procedure was tested by incorporating it into the boundary element method (BEM) to estimate the p<jats:italic>K<\/jats:italic><jats:sub><jats:italic>a<\/jats:italic><\/jats:sub> values of subtilisin BPN\u2032 and bovine trypsin inhibitor (BPTI). \u00a9 1995 by John Wiley &amp; Sons, Inc.<\/jats:p>","DOI":"10.1002\/jcc.540160414","type":"journal-article","created":{"date-parts":[[2005,1,2]],"date-time":"2005-01-02T00:41:51Z","timestamp":1104626511000},"page":"512-516","source":"Crossref","is-referenced-by-count":6,"title":["Calculating the electric potential of macromolecules: A simple method for molecular surface triangulation"],"prefix":"10.1002","volume":"16","author":[{"given":"Xiang","family":"Zhexin","sequence":"first","affiliation":[]},{"given":"Shi","family":"Yunyu","sequence":"additional","affiliation":[]},{"given":"Xu","family":"Yingwu","sequence":"additional","affiliation":[]}],"member":"311","published-online":{"date-parts":[[2004,9,7]]},"reference":[{"key":"e_1_2_1_2_2","doi-asserted-by":"publisher","DOI":"10.1145\/37402.37422"},{"key":"e_1_2_1_3_2","doi-asserted-by":"publisher","DOI":"10.1021\/bi00514a028"},{"key":"e_1_2_1_4_2","doi-asserted-by":"publisher","DOI":"10.1038\/295013a0"},{"key":"e_1_2_1_5_2","doi-asserted-by":"publisher","DOI":"10.1002\/prot.340040104"},{"key":"e_1_2_1_6_2","doi-asserted-by":"publisher","DOI":"10.1016\/0079-6107(76)90024-9"},{"key":"e_1_2_1_7_2","doi-asserted-by":"publisher","DOI":"10.1021\/cr00101a005"},{"key":"e_1_2_1_8_2","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540110509"},{"key":"e_1_2_1_9_2","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540090209"},{"key":"e_1_2_1_10_2","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540110911"},{"key":"e_1_2_1_11_2","doi-asserted-by":"publisher","DOI":"10.1016\/0021-9991(91)90043-K"},{"key":"e_1_2_1_12_2","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540140212"},{"key":"e_1_2_1_13_2","volume-title":"Groningen Molecular Simulation (GROMOS) Library Manual","author":"Van Gunsteren W. F.","year":"1987"},{"key":"e_1_2_1_14_2","doi-asserted-by":"publisher","DOI":"10.1016\/S0006-3495(93)81032-4"},{"key":"e_1_2_1_15_2","doi-asserted-by":"crossref","first-page":"387","DOI":"10.1146\/annurev.bb.14.060185.002131","volume":"14","author":"Matthew J. B.","year":"1985","journal-title":"Ann. Rev. Biophys. Chem."},{"key":"e_1_2_1_16_2","doi-asserted-by":"publisher","DOI":"10.1021\/bi00761a029"},{"key":"e_1_2_1_17_2","doi-asserted-by":"publisher","DOI":"10.1038\/330084a0"}],"container-title":["Journal of Computational Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.wiley.com\/onlinelibrary\/tdm\/v1\/articles\/10.1002%2Fjcc.540160414","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/jcc.540160414","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,10,26]],"date-time":"2023-10-26T20:24:24Z","timestamp":1698351864000},"score":1,"resource":{"primary":{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/jcc.540160414"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[1995,4]]},"references-count":16,"journal-issue":{"issue":"4","published-print":{"date-parts":[[1995,4]]}},"alternative-id":["10.1002\/jcc.540160414"],"URL":"https:\/\/doi.org\/10.1002\/jcc.540160414","archive":["Portico"],"relation":{},"ISSN":["0192-8651","1096-987X"],"issn-type":[{"value":"0192-8651","type":"print"},{"value":"1096-987X","type":"electronic"}],"subject":[],"published":{"date-parts":[[1995,4]]}}}