All papers authored by Christopher Rowley
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Christopher N. Rowley
An efficient and accurate model for water with an improved non-bonded potential
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Daan P. Geerke,
Christopher N. Rowley ,
Haibo Yu
Polarisable force fields: what do they add in biomolecular simulations?
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Sumit Mittal,
Christopher Rowley ,
Abhishek Singharoy
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Christopher N. Rowley
Simulating protein–ligand binding with neural network potentials
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Christopher N. Rowley ,
Joseph Moran
Ring-Opening Hydroarylation of Monosubstituted Cyclopropanes Enabled by Hexafluoroisopropanol
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Christopher N. Rowley
The Hydration Structure of Methylthiolate from QM/MM Molecular Dynamics
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Andrew G. Walsh,
Christopher N. Rowley
Modeling covalent-modifier drugs
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Christopher N. Rowley
The hydration structure of carbon monoxide byab initiomethods
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Christopher N. Rowley
How Reactive are Druggable Cysteines in Protein Kinases?
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Evaluation of Methods for the Calculation of the pKa of Cysteine Residues in Proteins
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Rommie E. Amaro,
Christophe Chipot,
Yi Wang,
James C. Gumbart
Simulation-Based Approaches for Determining Membrane Permeability of Small Compounds
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An explicit-solvent conformation search method using open software
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Molecular simulation of nonfacilitated membrane permeation
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