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Publications by Lawrence M. Barron

Multicomponent Calculations. I. General Excess and Correction Free Energy Solution Models.

Geochemical Journal

English

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Free-Energy Calculations With Multiple Gaussian Modified Ensembles

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Proximity Effect Correction Calculations by the Integral Equation Approximate Solution Method

Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures

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Charmm-Gui Ligand Binder for Relative Binding Free Energy Calculations

Biophysical Journal

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Reproducibility of Free Energy Calculations Across Different Molecular Simulation Software

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Linear-Scaling Soft Core Scheme for Alchemical Free Energy Calculations

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Free Energy Calculations for Rings and Chains Formed by Dipolar Hard Spheres

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Thermodynamic Coupling - Free Energy Calculations of Correlated Amino Acid Mutations

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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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