Miller, Edward B.

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

Cited by 210

Benchmarking Refined and Unrefined AlphaFold2 Structures for Hit Discovery

Zhang, Y., Vass, M., Shi, D., Abualrous, E., Chambers, J., Chopra, N., Higgs, C., Kasavajhala, K., Li, H., Nandekar, P., et al. (2022) · Journal of Chemical Information and Modeling

Computational Drug Discovery MethodsProtein Structure and Dynamics

Cited by 136

Benchmarking Refined and Unrefined AlphaFold2 Structures for Hit Discovery

Zhang, Y., Vass, M., Shi, D., Abualrous, E., Chambers, J., Chopra, N., Higgs, C., Kasavajhala, K., Li, H., Nandekar, P., et al. (2022) · Journal of Chemical Information and Modeling

Computational Drug Discovery MethodsProtein Structure and Dynamics

Cited by 136

Capsid antibodies to different adeno-associated virus serotypes bind common regions

Gurda, B. L., DiMattia, M. A., Miller, E. B., Bennett, A., McKenna, R., Weichert, W. S., Nelson, C. D., Chen, W.-J., Muzyczka, N., Olson, N. H., et al. (2013) · Journal of Virology

Virus-based gene therapy researchRNA Interference and Gene Delivery

Cited by 127

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

Reliable and Accurate Prediction of Single-Residue p K a Values through Free Energy Perturbation Calculations

Coskun, D., Chen, W., Clark, A. J., Lu, C., Harder, E. D., Wang, L., Friesner, R. A., & Miller, E. B. (2022) · Journal of Chemical Theory and Computation

Protein Structure and DynamicsAdvanced Chemical Physics Studies

Cited by 28