{"title":"用分子力学分析带结合水的磷脂酰氯头基团的六方构象","authors":"Y. Nakata, A. Takahashi, T. Takizawa","doi":"10.2477/JCHEMSOFT.1.39","DOIUrl":null,"url":null,"abstract":"Molecular mechanics was applied for determination of favorable hydration modes to the phosphate group in the phosphatidylcholine head group. The result shows that there are three favorable hexagonal arrangements of the head groups, in all of which five water molecules can be placed around each phosphate group.","PeriodicalId":205210,"journal":{"name":"Journal of Chemical Software","volume":"39 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"1992-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"3","resultStr":"{\"title\":\"Conformational Analysis of Hexagonal Arrangements of Phosphatidylchloline Head Groups with Bound Waters by Molecular Mechanics\",\"authors\":\"Y. Nakata, A. Takahashi, T. Takizawa\",\"doi\":\"10.2477/JCHEMSOFT.1.39\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Molecular mechanics was applied for determination of favorable hydration modes to the phosphate group in the phosphatidylcholine head group. The result shows that there are three favorable hexagonal arrangements of the head groups, in all of which five water molecules can be placed around each phosphate group.\",\"PeriodicalId\":205210,\"journal\":{\"name\":\"Journal of Chemical Software\",\"volume\":\"39 1\",\"pages\":\"0\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"1992-04-25\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"3\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Chemical Software\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.2477/JCHEMSOFT.1.39\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemical Software","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.2477/JCHEMSOFT.1.39","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Conformational Analysis of Hexagonal Arrangements of Phosphatidylchloline Head Groups with Bound Waters by Molecular Mechanics
Molecular mechanics was applied for determination of favorable hydration modes to the phosphate group in the phosphatidylcholine head group. The result shows that there are three favorable hexagonal arrangements of the head groups, in all of which five water molecules can be placed around each phosphate group.
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