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Publications by Ian M. Kenney
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
Related publications
Predicting Water-To-Cyclohexane Partitioning of the SAMPL5 Molecules Using Dielectric Balancing of Force Fields
Journal of Computer-Aided Molecular Design
Theoretical Chemistry
Drug Discovery
Computer Science Applications
Physical
Calculating Distribution Coefficients Based on Multi-Scale Free Energy Simulations: An Evaluation of MM and QM/MM Explicit Solvent Simulations of Water-Cyclohexane Transfer in the SAMPL5 Challenge
Journal of Computer-Aided Molecular Design
Theoretical Chemistry
Drug Discovery
Computer Science Applications
Physical
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
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
Molecular Dynamics Simulations of HMX Crystal Polymorphs Using a Flexible Molecule Force Field
AIP Conference Proceedings
Astronomy
Physics
Electrostatic Force Driven Molecular Dynamics Simulations
Biophysical Journal
Biophysics
Probing the Conformational Dynamics of Butyrophilin 3A1 Using Atomic Force Microscopy and Molecular Dynamics Simulations
Biophysical Journal
Biophysics
Molecular Dynamics Simulations of Guanine Quadruplex Loops: Advances and Force Field Limitations
Biophysical Journal
Biophysics
Understanding Protein HD Exchange Data Using Molecular Dynamics Simulations
Biophysical Journal
Biophysics
