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List of works by Israel Cabeza de Vaca

Absolute Free Energy of Binding Calculations for Macrophage Migration Inhibitory Factor in Complex with a Druglike Inhibitor

scientific article published on 07 October 2019

Computation of protein-ligand binding free energies using quantum mechanical bespoke force fields

scientific article published on 27 February 2019

Enhanced Monte Carlo Methods for Modeling Proteins Including Computation of Absolute Free Energies of Binding

scientific article published on 08 May 2018

Identification of 14 Known Drugs as Inhibitors of the Main Protease of SARS-CoV-2

scientific article published on 28 August 2020

LigParGen web server: an automatic OPLS-AA parameter generator for organic ligands

scientific article published on 21 April 2017

Robust Free Energy Perturbation Protocols for Creating Molecules in Solution

scientific article published on 24 June 2019

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