QM/MM free energy simulations: recent progress and challenges

TitleQM/MM free energy simulations: recent progress and challenges
Publication TypeJournal Article
Year of Publication2016
AuthorsLu, XY, Fang, D, Ito, S, Okamoto, Y, Ovchinnikov, V, Cui, Q
JournalMolecular Simulation
Volume42
Pagination1056-1078
ISBN Number0892-7022
DOI10.1080/08927022.2015.1132317