Toward Atomistic Modeling of Irreversible Covalent Inhibitor Binding Kinetics.

Tue, 01 Jan 2019 00:00:00 +0100

Haoyu S. Yu, Cen Gao, Dmitry Lupyan, Yujie Wu, Takayuki Kimura, Chuanjie Wu, Leif D. Jacobson, Edward Harder , Robert Abel, Lingle Wang :
Toward Atomistic Modeling of Irreversible Covalent Inhibitor Binding Kinetics. J. Chem. Inf. Model. 59(9): 3955-3967 (2019)