[ASAP] Selectivity and Ranking of Tight-Binding JAK-STAT Inhibitors Using Markovian Milestoning with Voronoi Tessellations

Journal of Chemical Information and ModelingDOI: 10.1021/acs.jcim.2c01589

Source: Journal of Chemical Information and Modeling - April 6, 2023 Category: Chemistry Authors: Anupam Anand Ojha, Ambuj Srivastava, Lane William Votapka, and Rommie E. Amaro Source Type: research