{"title":"自由能计算指导的虚拟筛选综合可行配体r -基团和支架修饰:一种新的先导优化范例","authors":"Robert Abel, Sathesh Bhat","doi":"10.1016/BS.ARMC.2017.08.007","DOIUrl":null,"url":null,"abstract":"","PeriodicalId":8033,"journal":{"name":"Annual Reports in Medicinal Chemistry","volume":"50 1","pages":"237-262"},"PeriodicalIF":0.0000,"publicationDate":"2017-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/BS.ARMC.2017.08.007","citationCount":"5","resultStr":"{\"title\":\"Free Energy Calculation Guided Virtual Screening of Synthetically Feasible Ligand R-Group and Scaffold Modifications: An Emerging Paradigm for Lead Optimization\",\"authors\":\"Robert Abel, Sathesh Bhat\",\"doi\":\"10.1016/BS.ARMC.2017.08.007\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"\",\"PeriodicalId\":8033,\"journal\":{\"name\":\"Annual Reports in Medicinal Chemistry\",\"volume\":\"50 1\",\"pages\":\"237-262\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2017-01-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://sci-hub-pdf.com/10.1016/BS.ARMC.2017.08.007\",\"citationCount\":\"5\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Annual Reports in Medicinal Chemistry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1016/BS.ARMC.2017.08.007\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"Chemistry\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Annual Reports in Medicinal Chemistry","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1016/BS.ARMC.2017.08.007","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"Chemistry","Score":null,"Total":0}
Free Energy Calculation Guided Virtual Screening of Synthetically Feasible Ligand R-Group and Scaffold Modifications: An Emerging Paradigm for Lead Optimization
期刊介绍:
Annual Reports in Medicinal Chemistry provides timely and critical reviews of important topics in medicinal chemistry with an emphasis on emerging topics in the biological sciences that are expected to provide the basis for entirely new future therapies.