SEEKR2: Versatile Multiscale Milestoning Utilizing the OpenMM Molecular Dynamics Engine. - Lane W. Votapka; Andrew M. Stokely; Anupam Anand Ojha; Rommie E. Amaro (J. Chem. Inf. Model., 2022)

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 (J. Chem. Inf. Model., 2023)

Integrating multiscale simulations, path-splitting methods and deep learning for enhanced kinetic and thermodynamic predictions and efficiency in biomolecular dynamics - Anupam Anand Ojha (2024)