ALMUDENA
PERONA REQUENA
Profesora contratada doctora
Universidad de Alcalá
Alcalá de Henares, EspañaPublicaciones en colaboración con investigadores/as de Universidad de Alcalá (7)
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
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
-
Synthesis, biological assessment and molecular modeling of 14-aryl-10,11,12,14-tetrahydro-9H-benzo[5,6]chromeno[2,3-b]quinolin-13-amines
Bioorganic and Medicinal Chemistry Letters, Vol. 21, Núm. 8, pp. 2384-2388
-
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