Computation of Protein-Ligand Binding Free Energies with a Quantum Mechanics-Based Mining Minima Algorithm
基于量子力学的极小值挖掘算法计算蛋白质-配体结合自由能
期刊:Journal of Chemical Theory and Computation
影响因子:5.5
doi:10.1021/acs.jctc.4c01707
Schlinsog, Megan; Sattasathuchana, Tosaporn; Xu, Peng; Guidez, Emilie B; Gilson, Michael K; Potter, Michael J; Gordon, Mark S; Webb, Simon P
