Insights on small molecule binding to the Hv1 proton channel from free energy calculations with molecular dynamics simulations.

Autor: Lim, Victoria T.1, Geragotelis, Andrew D.1, Lim, Nathan M.2, Freites, J. Alfredo1, Tombola, Francesco3,4, Mobley, David L.1,2 dmobley@mobleylab.org, Tobias, Douglas J.1,4 dtobias@uci.edu
Zdroj: Scientific Reports. 8/12/2020, Vol. 10 Issue 1, p1-13. 13p.
Databáze: Academic Search Ultimate