Phillip S. Hudson

Publication Activity (10 Years)

Years Active: 2017-2022
Publications (10 Years): 6

Top Topics

Alternative Approaches

Feature Weighting

Virtual Machine

Top Venues

J. Comput. Aided Mol. Des.

J. Comput. Chem.

Publications

Phillip S. Hudson, Félix Aviat, Rubén Meana-Pañeda, Luke C. Warrensford, Benjamin C. Pollard, Samarjeet Prasad, Michael R. Jones, H. Lee Woodcock III, Bernard R. Brooks
Obtaining QM/MM binding free energies in the SAMPL8 drugs of abuse challenge: indirect approaches. J. Comput. Aided Mol. Des. 36 (4) (2022)
Mahdi Ghorbani, Phillip S. Hudson, Michael R. Jones, Félix Aviat, Rubén Meana-Pañeda, Jeffery B. Klauda, Bernard R. Brooks
A replica exchange umbrella sampling (REUS) approach to predict host-guest binding free energies in SAMPL8 challenge. J. Comput. Aided Mol. Des. 35 (5) (2021)
Andreas Krämer, Phillip S. Hudson, Michael R. Jones, Bernard R. Brooks
Multi-phase Boltzmann weighting: accounting for local inhomogeneity in molecular simulations of water-octanol partition coefficients in the SAMPL6 challenge. J. Comput. Aided Mol. Des. 34 (5) (2020)
Kyungreem Han, Phillip S. Hudson, Michael R. Jones, Naohiro Nishikawa, Florentina Tofoleanu, Bernard R. Brooks
Prediction of CB[8] host-guest binding free energies in SAMPL6 using the double-decoupling method. J. Comput. Aided Mol. Des. 32 (10) (2018)
Phillip S. Hudson, Kyungreem Han, H. Lee Woodcock III, Bernard R. Brooks
Force matching as a stepping stone to QM/MM CB[8] host/guest binding free energies: a SAMPL6 cautionary tale. J. Comput. Aided Mol. Des. 32 (10) (2018)
Fiona L. Kearns, Phillip S. Hudson, Henry L. Woodcock, Stefan Boresch
Computing converged free energy differences between levels of theory via nonequilibrium work methods: Challenges and opportunities. J. Comput. Chem. 38 (16) (2017)