Lucas A. Defelipe
European Bioinformatics Institute(GB)European Molecular Biology Organization(DE)European Molecular Biology Laboratory(DE)European Molecular Biology Laboratory(DE)Centre for Structural Systems Biology(DE)
Publications by Year
Research Areas
Protein Structure and Dynamics, Computational Drug Discovery Methods, Tuberculosis Research and Epidemiology, Biochemical and Molecular Research, Protein Kinase Regulation and GTPase Signaling
Most-Cited Works
- → Molecular Dynamics in Mixed Solvents Reveals Protein–Ligand Interactions, Improves Docking, and Allows Accurate Binding Free Energy Predictions(2017)106 cited
- → Aromatic clusters in protein–protein and protein–drug complexes(2020)88 cited
- → Preclinical Development of Novel Rac1-GEF Signaling Inhibitors using a Rational Design Approach in Highly Aggressive Breast Cancer Cell Lines(2013)82 cited
- → AutoDock Bias: improving binding mode prediction and virtual screening using known protein–ligand interactions(2019)74 cited
- → Juvenile hormone synthesis: “esterify then epoxidize” or “epoxidize then esterify”? Insights from the structural characterization of juvenile hormone acid methyltransferase(2011)63 cited
- → FoldAffinity: binding affinities from nDSF experiments(2021)62 cited