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

Anupam Anand Ojha, Ambuj Srivastava, Lane W. Votapka, Rommie E. Amaro. Selectivity and Ranking of Tight-Binding JAK-STAT Inhibitors Using Markovian Milestoning with Voronoi Tessellations. Journal of Chemical Information and Computer Sciences, 63(8):2469-2482, April 2023. [doi]

Abstract

Abstract is missing.