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Publications by Dean R. Wheeler
A Polarizable Reactive Force Field for Water to Enable Molecular Dynamics Simulations of Proton Transport
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Chemical Potential Perturbation: A Method to Predict Chemical Potentials in Periodic Molecular Simulations
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Related publications
Water Properties From First Principles: Simulations by a General-Purpose Quantum Mechanical Polarizable Force Field
Proceedings of the National Academy of Sciences of the United States of America
Multidisciplinary
Parameterization and Optimization of the Menthol Force Field for Molecular Dynamics Simulations
Journal of Molecular Modeling
Organic Chemistry
Theoretical Chemistry
Inorganic Chemistry
Computer Science Applications
Mathematics
Computational Theory
Catalysis
Physical
Molecular Dynamics Simulations of HMX Crystal Polymorphs Using a Flexible Molecule Force Field
AIP Conference Proceedings
Astronomy
Physics
Water Transport in Human Aquaporin-4: Molecular Dynamics (MD) Simulations
Biochemical and Biophysical Research Communications
Biochemistry
Cell Biology
Molecular Biology
Biophysics
Electrostatic Force Driven Molecular Dynamics Simulations
Biophysical Journal
Biophysics
Molecular Dynamics Simulations of Guanine Quadruplex Loops: Advances and Force Field Limitations
Biophysical Journal
Biophysics
On the Absolute Thermodynamics of Water From Computer Simulations: A Comparison of First-Principles Molecular Dynamics, Reactive and Empirical Force Fields
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Reductive Gaseous (H2/Nh3) Desulfurization and Gasification of High-Sulfur Petroleum Coke via Reactive Force Field Molecular Dynamics Simulations
Prediction of Cyclohexane-Water Distribution Coefficients for the SAMPL5 Data Set Using Molecular Dynamics Simulations With the OPLS-AA Force Field
Journal of Computer-Aided Molecular Design
Theoretical Chemistry
Drug Discovery
Computer Science Applications
Physical
