Jerome, Steven

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

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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

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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

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WScore: a flexible and accurate treatment of explicit water molecules in ligand-receptor docking.

Murphy, R. B., Repasky, M. P., Greenwood, J. R., Tubert-Brohman, I., Jerome, S., Annabhimoju, R., Boyles, N. A., Schmitz, C. D., Abel, R., Farid, R., et al. (2016) · Journal of Medicinal Chemistry

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