Química en Ciencias Farmacéuticas
Département
Federico
Gago Badenas
Publications dans lesquelles il/elle collabore avec Federico Gago Badenas (9)
2022
-
Organotropic dendrons with high potency as HIV-1, HIV-2 and EV-A71 cell entry inhibitors
European Journal of Medicinal Chemistry, Vol. 237
2020
-
Distinct binding of cetirizine enantiomers to human serum albumin and the human histamine receptor H1
Journal of Computer-Aided Molecular Design, Vol. 34, Núm. 10, pp. 1045-1062
-
Tuning melatonin receptor subtype selectivity in oxadiazolone-based analogues: Discovery of QR2 ligands and NRF2 activators with neurogenic properties
European Journal of Medicinal Chemistry, Vol. 190
2019
-
All-atom catalytic cycle of Lactobacillus nucleoside 2’-deoxyribosyltransferases
BIOTRANS 2019
-
Reaction mechanism of nucleoside 2′-deoxyribosyltransferases: Free-energy landscape supports an oxocarbenium ion as the reaction intermediate
Organic and Biomolecular Chemistry, Vol. 17, Núm. 34, pp. 7891-7899
2012
-
CRDOCK: An ultrafast multipurpose protein-ligand docking tool
Journal of Chemical Information and Modeling, Vol. 52, Núm. 8, pp. 2300-2309
-
MM-ISMSA: An ultrafast and accurate scoring function for protein-protein docking
Journal of Chemical Theory and Computation, Vol. 8, Núm. 9, pp. 3395-3408
2011
-
VSDMIP 1.5: An automated structure- and ligand-based virtual screening platform with a PyMOL graphical user interface
Journal of Computer-Aided Molecular Design, Vol. 25, Núm. 9, pp. 813-824
1999
-
Solution structure determination by two-dimensional 1H NMR of ω-conotoxin MVIID, a calcium channel blocker peptide
Biochemical and Biophysical Research Communications, Vol. 254, Núm. 1, pp. 32-35