基于几何约束的蛋白质-配体准确结合自由能计算
付浩浩, 陈淏川, 张宏, 邵学广, 蔡文生
Accurate Estimation of Protein-ligand Binding Free Energies Based on Geometric Restraints
Haohao Fu, Haochuan Chen, Hong Zhang, Xueguang Shao, Wensheng Cai
化学学报
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2021, (4): 472
-480
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DOI: 10.6023/A20100489
