Zuckerman, Daniel M.

WESTPA 2.0: High-performance upgrades for weighted ensemble simulations and analysis of longer-timescale applications

Russo, J. D., Zhang, S., Leung, J. M. G., Bogetti, A. T., Thompson, J. P., DeGrave, A. J., Torrillo, P. A., Pratt, A. J., Wong, K. F., Xia, J., et al. (2021) · Journal of Chemical Theory and Computation

Advanced Physical and Chemical Molecular InteractionsProtein Structure and Dynamics

Cited by 93

WESTPA 2.0: High-Performance Upgrades for Weighted Ensemble Simulations and Analysis of Longer-Timescale Applications

Russo, J. D., Zhang, S., Leung, J. M. G., Bogetti, A. T., Thompson, J. P., DeGrave, A. J., Torrillo, P. A., Pratt, A. J., Wong, K. F., Xia, J., et al. (2022) · Journal of Chemical Theory and Computation

Advanced Physical and Chemical Molecular InteractionsProtein Structure and Dynamics

Cited by 93

What Markov state models can and cannot do: Correlation versus path-based observables in protein folding models

Suárez, E., Wiewiora, R. P., Wehmeyer, C., Noé, F., Chodera, J. D., & Zuckerman, D. M. (2020) · Journal of Chemical Theory and Computation

Protein Structure and DynamicsAdvanced Physical and Chemical Molecular Interactions

Cited by 65

What Markov State Models Can and Cannot Do: Correlation versus Path-Based Observables in Protein-Folding Models

Suárez, E., Wiewiora, R. P., Wehmeyer, C., Noé, F., Chodera, J. D., & Zuckerman, D. M. (2021) · Journal of Chemical Theory and Computation

Protein Structure and DynamicsAdvanced Physical and Chemical Molecular Interactions

Cited by 65

Entire-Dataset Analysis of NMR Fast-Exchange Titration Spectra: A Mg2+ Titration Analysis for HIV-1 Ribonuclease H Domain

Karki, I., Christen, M. T., Spiriti, J., Slack, R. L., Oda, M., Kanaori, K., Zuckerman, D. M., & Ishima, R. (2016) · The Journal of Physical Chemistry B

Advanced NMR Techniques and ApplicationsProtein Structure and Dynamics

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