Lim VT, Geragotelis AD, Lim NM, Freites JA, Tombola F, Mobley DL, Tobias DJ. Insights on small molecule binding to the Hv1 proton channel from free energy calculations with molecular dynamics simulations. Scientific Reports. 2020 Aug 12;10(1):13587. doi: 10.1038/s41598-020-70369-4.