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Publications by Jonathan W. Essex

Water Sites, Networks, and Free Energies With Grand Canonical Monte Carlo

Journal of the American Chemical Society

Surface Chemistry

English

CD1b-restricted GEM T Cell Responses Are Modulated byMycobacterium Tuberculosismycolic Acid Meromycolate Chains

Proceedings of the National Academy of Sciences of the United States of America

Multidisciplinary

English

Cholesteryl Esters Stabilize Human CD1c Conformations for Recognition by Self-Reactive T Cells

Proceedings of the National Academy of Sciences of the United States of America

Multidisciplinary

English

Modeling Vibrational Stark Effects Using Polarizable Force Fields: KSI as an Exemplar

Biophysical Journal

English

A Monte Carlo Resampling Approach for the Calculation of Hybrid Classical and Quantum Free Energies

Journal of Chemical Theory and Computation

Theoretical Chemistry

Computer Science Applications

English

Evaluating Parametrization Protocols for Hydration Free Energy Calculations With the AMOEBA Polarizable Force Field

Journal of Chemical Theory and Computation

Theoretical Chemistry

Computer Science Applications

English

Dual-Resolution Molecular Dynamics Simulation of Antimicrobials in Biomembranes

Journal of the Royal Society Interface

Biomedical Engineering

English

Surface Reconstruction Amendment to the Intrinsic Sampling Method

Journal of Chemical Physics

Theoretical Chemistry

English

FDS: Flexible Ligand and Receptor Docking With a Continuum Solvent Model and Soft-Core Energy Function

Journal of Computational Chemistry

Computational Mathematics

English