Computational study of the binding orientation and affinity of noncovalent inhibitors of the papain-like protease (PLpro) from SARS-CoV-1 considering the protein flexibility by usi...

por Castillo-Campos, Luis, Velázquez-Libera, José Luis, Caballero, Julio
Publicado 2023

Insights into the Structural Requirements of 2(S)-Amino-6-Boronohexanoic Acid Derivatives as Arginase I Inhibitors: 3D-QSAR, Docking, and Interaction Fingerprint Studies

por Velázquez-Libera, José Luis, Navarro-Retamal, Carlos, Caballero, Julio
Publicado 2018

Docking, Interaction Fingerprint, and Three-Dimensional Quantitative Structure–Activity Relationship (3D-QSAR) of Sigma1 Receptor Ligands, Analogs of the Neuroprotective Agent RC-3...

por Velázquez-Libera, José Luis, Rossino, Giacomo, Navarro-Retamal, Carlos, Collina, Simona, Caballero, Julio
Publicado 2019

Testing Affordable Strategies for the Computational Study of Reactivity in Cysteine Proteases: The Case of SARS-CoV-2 3CL Protease Inhibition

por Ramos-Guzmán, Carlos A., Velázquez-Libera, José Luis, Ruiz-Pernía, J. Javier, Tuñón, Iñaki
Publicado 2022

Structural Requirements of N-alpha-Mercaptoacetyl Dipeptide (NAMdP) Inhibitors of Pseudomonas Aeruginosa Virulence Factor LasB: 3D-QSAR, Molecular Docking, and Interaction Fingerpr...

por Velázquez-Libera, José Luis, Murillo-López, Juliana Andrea, F. de la Torre, Alexander, Caballero, Julio
Publicado 2019