Comparison of Accuracy,Convergence and Efficiency between Nonequilibrium and Equilibrium Alchemical

来源 :第十三届全国量子化学会议 | 被引量 : 0次 | 上传用户：jake7

【摘要】

：

　　In the past few decades,much effort has been devoted to estimate accurate protein-ligand binding affinity,which is a central challenge in structure-based dr

【作者】

：

Pengfei Li Meiting Wang Xiangyu Jia Ye Mei

【机构】

：

State Key Laboratory of Precision Spectroscopy,School of Physics and Materials Science,East China No

【出处】

：

第十三届全国量子化学会议

【发表日期】

：

2017年期

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　　In the past few decades,much effort has been devoted to estimate accurate protein-ligand binding affinity,which is a central challenge in structure-based drug design.

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