Multistructural hot spot characterization with FTProd. - Lane Votapka; Rommie E. Amaro (Bioinform., 2013)

Multiscale Estimation of Binding Kinetics Using Brownian Dynamics, Molecular Dynamics and Milestoning. - Lane W. Votapka; Rommie E. Amaro (PLoS Comput. Biol., 2015)

Numerical and Computational Solutions for Biochemical Kinetics, Druggability, and Simulation - Lane Votapka (2016)

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)

NetSci: A Library for High Performance Biomolecular Simulation Network Analysis Computation. - Andrew M. Stokely; Lane W. Votapka; Marcus T. Hock; Abigail E. Teitgen; James Andrew McCammon; Andrew D. McCulloch; Rommie E. Amaro (J. Chem. Inf. Model., 2024)