{"title":"鉴定针对 SARS-CoV-2 主要蛋白酶的潜在抗病毒先导抑制剂:基于结构引导的虚拟筛选、对接、ADME 和 MD 模拟方法","authors":"G. Lanka, R. Bathula, B. Ghosh, S. R. Potlapally","doi":"10.2139/ssrn.4457340","DOIUrl":null,"url":null,"abstract":"","PeriodicalId":72302,"journal":{"name":"Artificial intelligence chemistry","volume":null,"pages":null},"PeriodicalIF":0.0000,"publicationDate":"2023-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Identification of potential antiviral lead inhibitors against SARS-CoV-2 main protease: Structure-guided virtual screening, docking, ADME, and MD Simulation based approach\",\"authors\":\"G. Lanka, R. Bathula, B. Ghosh, S. R. Potlapally\",\"doi\":\"10.2139/ssrn.4457340\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"\",\"PeriodicalId\":72302,\"journal\":{\"name\":\"Artificial intelligence chemistry\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2023-09-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Artificial intelligence chemistry\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.2139/ssrn.4457340\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Artificial intelligence chemistry","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.2139/ssrn.4457340","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Identification of potential antiviral lead inhibitors against SARS-CoV-2 main protease: Structure-guided virtual screening, docking, ADME, and MD Simulation based approach