A Streamlined, General Approach for Computing Ligand Binding Free Energies and Its Application to GPCR-Bound Cholesterol
一种简化的通用方法用于计算配体结合自由能及其在GPCR结合胆固醇中的应用
期刊:Journal of Chemical Theory and Computation
影响因子:5.5
doi:10.1021/acs.jctc.8b00447
Salari, Reza; Joseph, Thomas; Lohia, Ruchi; Hénin, Jérôme; Brannigan, Grace