Title | Computationally Efficient Multiscale Reactive Molecular Dynamics to Describe Amino Acid Deprotonation in Proteins |
Publication Type | Journal Article |
Year of Publication | 2016 |
Authors | Lee, S, Liang, R, Voth, GA, Swason, JMJ |
Journal | J. Chem. Theory Comp. |
Volume | 12 |
Pagination | 879-891 |
DOI | 10.1021/acs.jctc.5b01109 |