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Publications by Gregory A. Voth

Integrin Catch Bond Kinetics Mediate Mechanosensing During Cell Spreading

Biophysical Journal

English

Conformational Switching Between Protein Substates Studied With 2D IR Vibrational Echo Spectroscopy and Molecular Dynamics Simulations

Journal of Physical Chemistry B

Theoretical Chemistry

Materials Chemistry

English

Reactive Molecular Dynamics Models From Ab Initio Molecular Dynamics Data Using Relative Entropy Minimization

Chemical Physics Letters

Theoretical Chemistry

English

Extending Parallel Scalability of LAMMPS and Multiscale Reactive Molecular Simulations

English

Charge Delocalization in Proton Channels, I: The Aquaporin Channels and Proton Blockage

Biophysical Journal

English

Introduction: Coarse-Graining in Molecular Modeling and Simulation

Journal of Chemical Theory and Computation

Theoretical Chemistry

Computer Science Applications

English

Modeling Physical Systems by Effective Harmonic Oscillators: The Optimized Quadratic Approximation

Journal of Chemical Physics

Theoretical Chemistry

English

The Properties of Ion-Water Clusters. II. Solvation Structures of Na+, Cl−, and H+ Clusters as a Function of Temperature

Journal of Chemical Physics

Theoretical Chemistry

English

The Multiscale Coarse-Graining Method. II. Numerical Implementation for Coarse-Grained Molecular Models

Journal of Chemical Physics

Theoretical Chemistry

English

The Formulation of Quantum Statistical Mechanics Based on the Feynman Path Centroid Density. I. Equilibrium Properties

Journal of Chemical Physics

Theoretical Chemistry

English