Exploration of Cryptic Pockets Using Enhanced Sampling Along Normal Modes: A Case Study of KRAS (G12D)
利用沿简正模式的增强采样探索隐秘口袋：KRAS (G12D) 案例研究
期刊:Journal of Chemical Information and Modeling
影响因子:5.3
doi:10.1021/acs.jcim.4c01435
Vithani, Neha; Zhang, She; Thompson, Jeffrey P; Patel, Lara A; Demidov, Alex; Xia, Junchao; Balaeff, Alexander; Mentes, Ahmet; Arnautova, Yelena A; Kohlmann, Anna; Lawson, J David; Nicholls, Anthony; Skillman, A Geoffrey; LeBard, David N
