Inhibition mechanism of MRTX1133 on KRASG12D: a molecular dynamics simulation and Markov state model study. - Fanglin Liang; Zhengzhong Kang; Xianqiang Sun; Jiao Chen; Xuemin Duan; Hu He; Jianxin Cheng (J. Comput. Aided Mol. Des., 2023)