Ahn, Surl-Hee

Gaussian accelerated molecular dynamics with the weighted ensemble method: a hybrid method improves thermodynamic and kinetic sampling

Ahn, S.-H., Ojha, A., Amaro, R., & McCammon, J. (2021) · Journal of Chemical Theory and Computation

Advanced Physical and Chemical Molecular InteractionsProtein Structure and Dynamics

Cited by 40

Gaussian accelerated molecular dynamics with the weighted ensemble method: a hybrid method improves thermodynamics and kinetics sampling

Ahn, S.-H., Ojha, A., Amaro, R., & McCammon, J. (2021) · Journal of Chemical Theory and Computation

Advanced Physical and Chemical Molecular InteractionsProtein Structure and Dynamics

Cited by 40

Targeting Tuberculosis: Novel Scaffolds for Inhibiting Cytochrome bd Oxidase

Seitz, C., Ahn, S.-H., Wei, H., Kyte, M., Cook, G. M., Krause, K. L., & McCammon, J. A. (2024) · Journal of Chemical Information and Modeling

Computational Drug Discovery MethodsTuberculosis Research and Epidemiology

Cited by 11

Targeting Tuberculosis: Novel Scaffolds for Inhibiting Cytochrome bd Oxidase

Seitz, C., Ahn, S.-H., Wei, H., Kyte, M., Cook, G. M., Krause, K., & McCammon, J. A. (2024) · Journal of Chemical Information and Modeling

Computational Drug Discovery MethodsTuberculosis Research and Epidemiology

Cited by 11

Regulatory Interactions between APOBEC3B N- and C-Terminal Domains

Braza, M. K. E., Demir, Ö., Ahn, S.-H., Morris, C. K., Calvó-Tusell, C., McGuire, K. L., de la Peña Avalos, B., Carpenter, M. A., Chen, Y., Casalino, L., et al. (2025) · Journal of Chemical Information and Modeling

Protein Structure and DynamicsEnzyme Structure and Function

Cited by 3

Regulatory interactions between APOBEC3B N- and C-terminal domains

Braza, M. K. E., Demir, Ö., Ahn, S.-H., Morris, C. K., Calvó-Tusell, C., McGuire, K. L., de la Peña Avalos, B., Carpenter, M. A., Chen, Y., Casalino, L., et al. (2024) · Journal of Chemical Information and Modeling

Protein Structure and DynamicsEnzyme Structure and Function

Cited by 3

Gaussian accelerated molecular dynamics with the weighted ensemble method: a hybrid method improves thermodynamics and kinetics sampling

Ahn, S.-H., Ojha, A., Amaro, R., & McCammon, J. (2021)

Advanced Physical and Chemical Molecular InteractionsProtein Structure and Dynamics

Cited by 1