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Publications by G. R. Kneller

Computing Memory Functions From Molecular Dynamics Simulations

Journal of Chemical Physics

Theoretical Chemistry

English

Related publications

Insights Into Functions of the H Channel of Cytochromecoxidase From Atomistic Molecular Dynamics Simulations

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

Multidisciplinary

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Dynamical Diffraction S/Tem Simulations From Molecular Dynamics Data

Microscopy and Microanalysis

Instrumentation

English

Semiconductor Surface and Interface Dynamics From Tight‐binding Molecular Dynamics Simulations

Journal of Vacuum Science and Technology A: Vacuum, Surfaces and Films

Condensed Matter Physics

English

Computing Alchemical Free Energy Differences With Hamiltonian Replica Exchange Molecular Dynamics (H-Remd) Simulations

Journal of Chemical Theory and Computation

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Molecular Dynamics Simulations in Photosynthesis

Photosynthesis Research

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Inter-Dna Electrostatics From Explicit Solvent Molecular Dynamics Simulations

Journal of the American Chemical Society

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Molecular Dynamics Simulations of Biomolecules

Accounts of Chemical Research

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DNA Basepair Step Deformability Inferred From Molecular Dynamics Simulations

Biophysical Journal

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Improvement in Empirical Potential Functions for Increasing the Utility of Molecular Dynamics Simulations

English