{"title":"采用分子动力学模拟和DFT计算方法探讨温度对基孔肯雅病毒非结构蛋白酶2 (nsP2)催化位点的影响","authors":"E. Silva-Júnior","doi":"10.3390/ecmc2021-11472","DOIUrl":null,"url":null,"abstract":"","PeriodicalId":20499,"journal":{"name":"Proceedings of 7th International Electronic Conference on Medicinal Chemistry","volume":"13 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2021-11-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Exploring effects of temperature on the catalytic site of non-structural protease 2 (nsP2) from Chikungunya virus by using molecular dynamics simulations and DFT calculations\",\"authors\":\"E. Silva-Júnior\",\"doi\":\"10.3390/ecmc2021-11472\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"\",\"PeriodicalId\":20499,\"journal\":{\"name\":\"Proceedings of 7th International Electronic Conference on Medicinal Chemistry\",\"volume\":\"13 1\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2021-11-03\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Proceedings of 7th International Electronic Conference on Medicinal Chemistry\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.3390/ecmc2021-11472\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Proceedings of 7th International Electronic Conference on Medicinal Chemistry","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.3390/ecmc2021-11472","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Exploring effects of temperature on the catalytic site of non-structural protease 2 (nsP2) from Chikungunya virus by using molecular dynamics simulations and DFT calculations