Phillip S. Hudson

According to our database, Phillip S. Hudson authored at least 6 papers between 2017 and 2022.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2022

Obtaining QM/MM binding free energies in the SAMPL8 drugs of abuse challenge: indirect approaches.

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

J. Comput. Aided Mol. Des., 2022

2021

A replica exchange umbrella sampling (REUS) approach to predict host-guest binding free energies in SAMPL8 challenge.

Mahdi Ghorbani, Phillip S. Hudson, Michael R. Jones, Félix Aviat, Rubén Meana-Pañeda, Jeffery B. Klauda, Bernard R. Brooks

J. Comput. Aided Mol. Des., 2021

2020

Multi-phase Boltzmann weighting: accounting for local inhomogeneity in molecular simulations of water-octanol partition coefficients in the SAMPL6 challenge.

Andreas Krämer, Phillip S. Hudson, Michael R. Jones, Bernard R. Brooks

J. Comput. Aided Mol. Des., 2020

2018

Force matching as a stepping stone to QM/MM CB[8] host/guest binding free energies: a SAMPL6 cautionary tale.

Phillip S. Hudson, Kyungreem Han, H. Lee Woodcock III, Bernard R. Brooks

J. Comput. Aided Mol. Des., 2018

Prediction of CB[8] host-guest binding free energies in SAMPL6 using the double-decoupling method.

Kyungreem Han, Phillip S. Hudson, Michael R. Jones, Naohiro Nishikawa, Florentina Tofoleanu, Bernard R. Brooks

J. Comput. Aided Mol. Des., 2018

2017

Computing converged free energy differences between levels of theory via nonequilibrium work methods: Challenges and opportunities.

Fiona L. Kearns, Phillip S. Hudson, Henry L. Woodcock, Stefan Boresch

J. Comput. Chem., 2017