Monte Carlo Free Ligand Diffusion with Markov State Model Analysis and Absolute Binding Free Energy Calculations

Journal 2014

URL:  http://pubs.acs.org/doi/abs/10.1021/ct400678g

Authors: Takahashi, Ryoji / Gil, Victor / Guallar, Victor

Publication: Journal of Chemical Theory and Computation

Volume / Number / Pagination: 10 / 1 / 282-288