Binding thermodynamics of host-guest systems with SMIRNOFF99Frosst 1.0.5 from the Open Force Field Initiative
Slochower, David R, Henriksen, Niel M., Wang, Lee-Ping, Chodera, John Damon, Mobley, David L, Gilson, MichaelLanguage:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.9b00748
Date:
October, 2019
File:
PDF, 2.76 MB
english, 2019