Borrelli, Kenneth W.

Reliable and Accurate Solution to the Induced Fit Docking Problem for Protein–Ligand Binding

Miller, E. B., Murphy, R. B., Sindhikara, D., Borrelli, K. W., Grisewood, M. J., Ranalli, F., Dixon, S. L., Jerome, S., Boyles, N. A., Day, T., et al. (2021) · Journal of Chemical Theory and Computation

Computational Drug Discovery MethodsProtein Structure and Dynamics

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Induced-Fit Docking Enables Accurate Free Energy Perturbation Calculations in Homology Models

Xu, T., Zhu, K., Beautrait, A., Vendome, J., Borrelli, K., Abel, R., Friesner, R., & Miller, E. (2022) · Journal of Chemical Theory and Computation

Computational Drug Discovery MethodsProtein Structure and Dynamics

Cited by 45

Induced-Fit Docking Enables Accurate Free Energy Perturbation Calculations in Homology Models

Xu, T., Zhu, K., Beautrait, A., Vendome, J., Borrelli, K. W., Abel, R., Friesner, R. A., & Miller, E. B. (2022) · Journal of Chemical Theory and Computation

Computational Drug Discovery MethodsProtein Structure and Dynamics

Cited by 45