An Efficient and Versatile Tool for Lead Structure Generation and Optimization in Structure-based Dr

来源 :2015年全国药物化学学术会议暨第五届中英药物化学学术会议 | 被引量 : 0次 | 上传用户:happyyoung
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  In structure-based drug design,docking-based virtual screening is widely applied to lead discovery.Other types of methods,such as build-up methods,have to be employed in the subsequent lead optimization process.We previously developed a computational method,namely Automatic Tailoring and Transplanting(AutoT&T),that utilizes the outcomes of virtual screening for lead optimization.
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