Tailored Parameterization of the LIE Method for Calculating the Binding Free Energy of Vps34–Inhibitor Complexes

• Mario S. Valdés-Tresanco,
• Mario E. Valdés-Tresanco,
• Marcela Rubio-Carrasquilla,
• Pedro A. Valiente,
• Ernesto Moreno

Affiliations

Mario S. Valdés-Tresanco

Faculty of Basic Sciences, University of Medellin, Medellin, Colombia

Mario E. Valdés-Tresanco

Biological Sciences, University of Calgary, Calgary, Alberta, Canada

Marcela Rubio-Carrasquilla

Grupo de Micología Médica y Experimental, Corporación para Investigaciones Biológicas (CIB), Medellin, Colombia

Pedro A. Valiente

Faculty of Medicine, Donnelly Centre for Cellular and Biomolecular Research, University of Toronto, Toronto, Ontario, Canada

Ernesto Moreno

Faculty of Basic Sciences, University of Medellin, Medellin, Colombia