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Publications by David L. Mobley
Reproducibility of Free Energy Calculations Across Different Molecular Simulation Software
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Related publications
Reproducibility of Free Energy Calculations Across Different Molecular Simulation Software
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Free Energy Perturbation Hamiltonian Replica-Exchange Molecular Dynamics (FEP/H-REMD) for Absolute Ligand Binding Free Energy Calculations
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Molecular Dynamics and Free-Energy Calculations Applied to Affinity Maturation in Antibody 48G7
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Extending Fragment-Based Free Energy Calculations With Library Monte Carlo Simulation: Annealing in Interaction Space
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Molecular Orbital Calculations of Interfacial Energy in Adhesion
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Free-Energy Calculations With Multiple Gaussian Modified Ensembles
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Analysis of Α4 Β1integrin Specific Antagonists Binding Modes: Structural Insights by Molecular Docking, Molecular Dynamics and Linear Interaction Energy Method for Free Energy Calculations
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Structural Insight Into Inhibition of CsrA-RNA Interaction Revealed by Docking, Molecular Dynamics and Free Energy Calculations
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Ab Initio Molecular Dynamics Calculations of Ion Hydration Free Energies
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