Reilley, D. J.; Wang, J.; Dokholyan, N. V.; Alexandrova, A. N. Titr-DMD—A Rapid, Coarse-Grained Quasi-All-Atom Constant pH Molecular Dynamics Framework. J. Chem. Theory Comput. 2021, 17 (7), 4538–4549. Download

By anna_13579Q / June 24, 2021

Reilley, D. J.; Wang, J.; Dokholyan, N. V.; Alexandrova, A. N. Titr-DMD—A Rapid, Coarse-Grained Quasi-All-Atom Constant pH Molecular Dynamics Framework. J. Chem. Theory Comput. 2021, 17 (7), 4538–4549. Download

Mehta, R.; Rivera, D. D.; Reilley, D. J.; Tan, D.; Thomas, P. W.; Hinojosa, A.; Stewart, A. C.; Cheng, Z.; Thomas, C. A.; Crowder, M. W.; Alexandrova, A. N.; Fast, W.; Que, E. L. Visualizing the Dynamic Metalation State of New Delhi Metallo-β-lactamase-1 in Bacteria Using a Reversible Fluorescent Probe. J. Am. Chem. Soc. 2021, 143 (22), 8314–8323. Download

Alexandrova, A. N.; Hartland, G. V. Suggesting Reviewers to Improve Your Manuscript. Viewpoint. 2021, J. Phys. Chem. A/B/C, DOI: 10.1021/acs.jpca.1c05521, 10.1021/acs.jpcb.1c05522, 10.1021/acs.jpcc.1c05523.

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