Water Bridges Play a Key Role in Affinity and Selectivity for Malarial Protease Falcipain-2. - Jorge Enrique Hernández González; Lilian Hernández Alvarez; Vitor B. P. Leite; Pedro Geraldo Pascutti (J. Chem. Inf. Model., 2020)

In silico identification of noncompetitive inhibitors targeting an uncharacterized allosteric site of falcipain-2. - Jorge Enrique Hernández González; Emir Salas-Sarduy; Lilian Hernández Alvarez; Diego Enry Barreto Gomes; Pedro Geraldo Pascutti; Chris Oostenbrink; Vitor B. P. Leite (J. Comput. Aided Mol. Des., 2021)

Tetracycline Derivatives Inhibit Plasmodial Cysteine Protease Falcipain-2 through Binding to a Distal Allosteric Site. - Jorge Enrique Hernández González; Lucas N. Alberca; Yordanka Masforrol González; Osvaldo Reyes Acosta; Alan Talevi; Emir Salas-Sarduy (J. Chem. Inf. Model., 2022)

Alchemical Calculation of Relative Free Energies for Charge-Changing Mutations at Protein-Protein Interfaces Considering Fixed and Variable Protonation States. - Jorge Enrique Hernández González; Alexandre Suman de Araujo (J. Chem. Inf. Model., 2023)