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Publications by David L. Mobley
Predicting Charged-Ligand Binding From Molecular Simulations
Biophysical Journal
Biophysics
Computational Insights on Small Molecule Binding to the Hv1 Proton Channel
Biophysical Journal
Biophysics
Reproducibility of Free Energy Calculations Across Different Molecular Simulation Software
Journal of Chemical Theory and Computation
Theoretical Chemistry
Computer Science Applications
Physical
Binding Thermodynamics of Host-Guest Systems With SMIRNOFF99Frosst 1.0.5 From the Open Force Field Initiative
Journal of Chemical Theory and Computation
Theoretical Chemistry
Computer Science Applications
Physical
Calculating the Sensitivity and Robustness of Binding Free Energy Calculations to Force Field Parameters
Journal of Chemical Theory and Computation
Theoretical Chemistry
Computer Science Applications
Physical
Non-Bonded Force Field Model With Advanced Restrained Electrostatic Potential Charges (RESP2)
Communications Chemistry
Biochemistry
Environmental Chemistry
Materials Chemistry
Chemistry
Liquid-Like and Rigid-Body Motions in Molecular-Dynamics Simulations of a Crystalline Protein
Structural Dynamics
Instrumentation
Radiation
Condensed Matter Physics
Spectroscopy
Assessing the Conformational Equilibrium of Carboxylic Acid via QM and MD Studies on Acetic Acid
Journal of Chemical Information and Modeling
Computer Science Applications
Chemistry
Chemical Engineering
Library
Information Sciences
FreeSolv: A Database of Experimental and Calculated Hydration Free Energies, With Input Files
Journal of Computer-Aided Molecular Design
Theoretical Chemistry
Drug Discovery
Computer Science Applications
Physical
Best Practices for Foundations in Molecular Simulations [Article V1.0]
Living Journal of Computational Molecular Science
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