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Phillip S Hudson

Affiliations: 
Roivant Sciences 
Area:
Free Energy
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"Phillip Hudson"
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Henry Lee Woodcock III grad student 2014-2020 University of South Florida
Bernard  R Brooks grad student 2017-2021 National Insitutes of Health

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Publications

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Persichetti JR, Jiang Y, Hudson PS, et al. (2022) Modeling Ensembles of Enzyme Reaction Pathways with Hi-MSM Reveals the Importance of Accounting for Pathway Diversity. The Journal of Physical Chemistry. B
Hudson PS, Aviat F, Meana-Pañeda R, et al. (2022) Obtaining QM/MM binding free energies in the SAMPL8 drugs of abuse challenge: indirect approaches. Journal of Computer-Aided Molecular Design
Ghorbani M, Hudson PS, Jones MR, et al. (2021) A replica exchange umbrella sampling (REUS) approach to predict host-guest binding free energies in SAMPL8 challenge. Journal of Computer-Aided Molecular Design
Zeindlhofer V, Hudson P, Pálvölgyi ÁM, et al. (2020) Enantiomerization of Axially Chiral Biphenyls: Polarizable MD Simulations in Water and Butylmethylether. International Journal of Molecular Sciences. 21
Krämer A, Hudson PS, Jones MR, et al. (2020) Multi-phase Boltzmann weighting: accounting for local inhomogeneity in molecular simulations of water-octanol partition coefficients in the SAMPL6 challenge. Journal of Computer-Aided Molecular Design
Wolfe DK, Persichetti JR, Sharma AK, et al. (2020) Hierarchical Markov State Model Building to Describe Molecular Processes. Journal of Chemical Theory and Computation
Hudson PS, Woodcock HL, Boresch S. (2019) On the use of interaction energies in QM/MM free energy simulations. Journal of Chemical Theory and Computation
Hudson PS, Boresch S, Rogers DM, et al. (2018) Accelerating QM/MM Free Energy Computations via Intramolecular Force Matching. Journal of Chemical Theory and Computation
Hudson PS, Han K, Woodcock HL, et al. (2018) Force matching as a stepping stone to QM/MM CB[8] host/guest binding free energies: a SAMPL6 cautionary tale. Journal of Computer-Aided Molecular Design
Han K, Hudson PS, Jones MR, et al. (2018) Prediction of CB[8] host-guest binding free energies in SAMPL6 using the double-decoupling method. Journal of Computer-Aided Molecular Design
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