most citedA New Formulation for the Concerted Alchemical Calculation of van der Waals and Coulomb Components of Solvation Free Energies

4 citations · 4 across the 1 of their papers we have counts for

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1 paper

physics.comp-ph2022★ 4 cited

A New Formulation for the Concerted Alchemical Calculation of van der Waals and Coulomb Components of Solvation Free Energies

Gabriela B. Correa, Jessica C. S. L. Maciel, Frederico W. Tavares +1

Alchemical free energy calculations via molecular dynamics have been widely used to obtain thermodynamic properties related to protein-ligand binding and solute-solvent interaction…