Bogetti, Anthony T.

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

The RED scheme: Rate-constant estimation from pre-steady state weighted ensemble simulations

DeGrave, A. J., Bogetti, A. T., & Chong, L. T. (2018) · The Journal of Chemical Physics

Protein Structure and DynamicsAdvanced Physical and Chemical Molecular Interactions

Cited by 20

Accurate Identification and Mechanistic Evaluation of Pathogenic Missense Variants with Rhapsody-2

Banerjee, A., Bogetti, A., & Bahar, I. (2025) · Proceedings of the National Academy of Sciences

Genomics and Rare DiseasesProtein Structure and Dynamics

Cited by 13

Accurate identification and mechanistic evaluation of pathogenic missense variants with Rhapsody-2

Banerjee, A., Bogetti, A. T., & Bahar, I. (2025) · Proceedings of the National Academy of Sciences

Genomics and Rare DiseasesProtein Structure and Dynamics

Cited by 12