Computationally Efficient Multiscale Reactive Molecular Dynamics to Describe Amino Acid Deprotonation in Proteins

TitleComputationally Efficient Multiscale Reactive Molecular Dynamics to Describe Amino Acid Deprotonation in Proteins
Publication TypeJournal Article
Year of Publication2016
AuthorsLee, S, Liang, R, Voth, GA, Swason, JMJ
JournalJ. Chem. Theory Comp.
Volume12
Pagination879-891
DOI10.1021/acs.jctc.5b01109