José‐Emilio Sánchez‐Aparicio

BioMetAll: Identifying Metal-Binding Sites in Proteins from Backbone Preorganization

José‐Emilio Sánchez‐Aparicio, Laura Tiessler‐Sala, Lorea Velasco‐Carneros et al. · Journal of Chemical Information and Modeling · 2020 · 56 citations · Full text

Investigating Potential Inhibitory Effect of <i>Uncaria tomentosa</i> (Cat’s Claw) against the Main Protease 3CL ^pro of SARS‐CoV‐2 by Molecular Modeling

A.F. Yepes, Oscar Herrera-Calderón, José‐Emilio Sánchez‐Aparicio et al. · Evidence-based Complementary and Alternative Medicine · 2020 · 35 citations · Full text

Discovery of processive catalysis by an exo-hydrolase with a pocket-shaped active site

Victor A. Streltsov, Sukanya Luang, Alys Peisley et al. · Nature Communications · 2019 · 26 citations · Full text

GPathFinder: Identification of Ligand-Binding Pathways by a Multi-Objective Genetic Algorithm

José‐Emilio Sánchez‐Aparicio, Giuseppe Sciortino, Daniel Viladrich Herrmannsdoerfer et al. · International Journal of Molecular Sciences · 2019 · 20 citations · Full text

Drug Target, Engineering, Gpathfinder Identifies +19

Synthesis of polyfluoroalkyl sp2-iminosugar glycolipids and evaluation of their immunomodulatory properties towards anti-tumor, anti-leishmanial and anti-inflammatory therapies

Elena M. Sánchez‐Fernández, Ma Isabel García-Moreno, Ana I. Arroba et al. · European Journal of Medicinal Chemistry · 2019 · 18 citations

Polyfluoroalkyl Sp2-iminosugar Glycolipids, Medicinal Chemistry, Anti-inflammatory +8