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List of works by Thomas Keyes

Classical Description of the Vibrational Spectroscopy, Structure, and Electrostatics of the Halide Solvation Shell with the POLIR Potential

scientific article published on 18 February 2015

Classical molecular electrostatics: recognition of ligands in proteins and the vibrational Stark effect

scientific article published on 01 December 2006

Classical simulations with the POLIR potential describe the vibrational spectroscopy and energetics of hydration: divalent cations, from solvation to coordination complex

scientific article published on 27 May 2011

Communication: Iteration-free, weighted histogram analysis method in terms of intensive variables ⬇️

scientific article published on August 14, 2011

Divergences in the amplitudes of the "long-time tails"

scholarly article

Enhanced Sampling of Phase Transitions in Coarse-Grained Lipid Bilayers.

scientific article published on 22 May 2017

Entropic Description of Gas Hydrate Ice-Liquid Equilibrium via Enhanced Sampling of Coexisting Phases

scientific article published on 28 April 2015

Extending classical molecular theory with polarization

scientific article published on 23 December 2010

Generalized replica exchange method

scientific article

Induction model for molecular electrostatics: application to the infrared spectroscopy of CO liquid

scientific article published on 01 May 2006

Influence of Go-like interactions on global shapes of energy landscapes in beta-barrel forming model proteins: inherent structure analysis and statistical temperature molecular dynamics simulation

article

Inherent structure analysis of protein folding

scientific article

Isobaric Molecular Dynamics Version of the Generalized Replica Exchange Method (gREM): Liquid-Vapor Equilibrium

scientific article published on 13 October 2015

Limit of metastability for liquid and vapor phases of water.

scientific article

Lipid Packing in Lipid-Wrapped Nanoparticles

scientific article published on 21 June 2018

Macromolecular Systems Understood through Multiscale and Enhanced Sampling Techniques ⬇️

scientific article published on July 26, 2012

Membrane Fluidity Sensing on the Single Virus Particle Level with Plasmonic Nanoparticle Transducers.

scientific article published on 21 September 2017

Membrane-wrapped nanoparticles probe divergent roles of GM3 and phosphatidylserine in lipid-mediated viral entry pathways

article published in the Proceedings of the National Academy of Sciences of the United States of America

Moltemplate: A Tool for Coarse-Grained Modeling of Complex Biological Matter and Soft Condensed Matter Physics

scientific article published on 02 February 2021

Multiple branched adaptive steered molecular dynamics

scientific article published in August 2014

POLIR: polarizable, flexible, transferable water potential optimized for IR spectroscopy

scientific article published on 01 July 2008

Pathways through Equilibrated States with Coexisting Phases for Gas Hydrate Formation

scientific article published in December 2015

Protein folding and confinement: inherent structure analysis of chaperonin action

scientific article published on 29 November 2010

Relationship between protein folding thermodynamics and the energy landscape

scientific article published on 4 March 2009

Replica Exchange Statistical Temperature Molecular Dynamics Algorithm ⬇️

scientific article published on May 15, 2012

Replica exchange statistical temperature Monte Carlo

scientific article published on March 2009

Simulation of fluid/gel phase equilibrium in lipid vesicles

scientific article published on 07 October 2019

Statistical temperature molecular dynamics: application to coarse-grained beta-barrel-forming protein models

scientific article

Statistical-temperature Monte Carlo and molecular dynamics algorithms

scientific article published in August 2006

Structure optimization and folding mechanisms of off-lattice protein models using statistical temperature molecular dynamics simulation: Statistical temperature annealing

scientific article published on 18 July 2007

The relation between the structure of the first solvation shell and the IR spectra of aqueous solutions

scientific article published on 3 November 2011

Water Freezing and Ice Melting

scientific article published on 13 November 2015

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