{"title":"蛋白质 β -折叠二聚体结合能的理论研究","authors":"孙长亮 王长生, Wang Chang-Sheng Sun Chang-Liang","doi":"10.1360/ZB2009-39-6-481","DOIUrl":null,"url":null,"abstract":"使用B3LYP和MP2方法研究了17个由甘氨酸多肽构成的具有反平行结构和平行结构的 β -折叠二聚体. 估算了在反平行结构中存在的H…H, O…O二级静电排斥作用的大小. 并以LR, SR, MR为结构单元探讨了肽链长度的增加对体系的结合能的影响. 结果表明在反平行的 β -折叠二聚体中, 由于二级静电作用的影响, 随着肽链长度的增加, 体系的结合能是以折线形式增强的, 而在平行结构中, 体系的结合能随着肽链长度的增加呈线性增强关系.","PeriodicalId":49128,"journal":{"name":"Science in China. Series B, Chemistry","volume":"49 1","pages":"481-487"},"PeriodicalIF":0.0000,"publicationDate":"2009-06-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"蛋白质 β -折叠二聚体结合能的理论研究\",\"authors\":\"孙长亮 王长生, Wang Chang-Sheng Sun Chang-Liang\",\"doi\":\"10.1360/ZB2009-39-6-481\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"使用B3LYP和MP2方法研究了17个由甘氨酸多肽构成的具有反平行结构和平行结构的 β -折叠二聚体. 估算了在反平行结构中存在的H…H, O…O二级静电排斥作用的大小. 并以LR, SR, MR为结构单元探讨了肽链长度的增加对体系的结合能的影响. 结果表明在反平行的 β -折叠二聚体中, 由于二级静电作用的影响, 随着肽链长度的增加, 体系的结合能是以折线形式增强的, 而在平行结构中, 体系的结合能随着肽链长度的增加呈线性增强关系.\",\"PeriodicalId\":49128,\"journal\":{\"name\":\"Science in China. Series B, Chemistry\",\"volume\":\"49 1\",\"pages\":\"481-487\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2009-06-20\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Science in China. Series B, Chemistry\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1360/ZB2009-39-6-481\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Science in China. Series B, Chemistry","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1360/ZB2009-39-6-481","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
京公网安备 11010802042870号
京ICP备2023020795号-1
分享
求助内容：
应助结果提醒方式：
扫码关注我们
