Simulating Protein Mediated Hydrolysis of ATP and Other Nucleoside Triphosphates by Combining QM/MM Molecular Dynamics with Advances in Metadynamics

TitleSimulating Protein Mediated Hydrolysis of ATP and Other Nucleoside Triphosphates by Combining QM/MM Molecular Dynamics with Advances in Metadynamics
Publication TypeJournal Article
Year of Publication2017
AuthorsSun, R, Sode, O, Dama, JF, Voth, GA
JournalJ. Chem. Theory Comput.
Volume13
Start Page2332
DOI10.1021/acs.jctc.7b00077