Alvaro Cortes Cabrera
Alvaro Cortes Cabrera
Computational Chemist
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Differential role of Snail1 and Snail2 zinc fingers in E-cadherin repression and Epithelial to Mesenchymal Transition
A Villarejo, Á Cortés-Cabrera, P Molina-Ortíz, F Portillo, A Cano
Journal of Biological Chemistry 289 (2), 930-941, 2014
Application of artificial neural networks to the prediction of the antioxidant activity of essential oils in two experimental in vitro models
AC Cabrera, JM Prieto
Food Chemistry 118 (1), 141-146, 2010
MM-ISMSA: an ultra-fast and accurate scoring function for protein-protein docking
J Klett, A Núñez-Salgado, H G. Dos Santos, Á Cortés-Cabrera, A Perona, ...
Journal of Chemical Theory and Computation, 2012
Efficient and Selective Enzymatic Synthesis of N-Acetyl-Lactosamine in Ionic Liquid: a Rational Explanation
MJH Manuel Sandoval,Álvaro Cortés,Concepción Civera
RSC Advances, 6306-6314, 2012
Solvents derived from glycerol modify classical regioselectivity in the enzymatic synthesis of disaccharides with Biolacta β-galactosidase
M Pérez-Sánchez, M Sandoval, A Cortés-Cabrera, H García-Marín, ...
Green Chemistry 13 (10), 2810-2817, 2011
A high throughput screen for next-generation leads targeting malaria parasite transmission
MJ Delves, C Miguel-Blanco, H Matthews, I Molina, A Ruecker, S Yahiya, ...
Nature communications 9 (1), 1-13, 2018
Molecular recognition of epothilones by microtubules and tubulin dimers revealed by biochemical and NMR approaches
A Canales, L Nieto, J Rodríguez-Salarichs, PA Sánchez-Murcia, ...
ACS chemical biology 9 (4), 1033-1043, 2014
Improved synthesis of disaccharides with Escherichia coli β-galactosidase using bio-solvents derived from glycerol
M Pérez-Sánchez, ÁC Cabrera, H García-Martín, JV Sinisterra, JI García, ...
Tetrahedron 67 (40), 7708-7712, 2011
Lipase from Pseudomonas stutzeri: Purification, homology modelling and rational explanation of the substrate binding mode
A Maraite, P Hoyos, JD Carballeira, ÁC Cabrera, ...
Journal of Molecular Catalysis B: Enzymatic, 2012
Highly efficient enzymatic synthesis of Galβ-(1→ 3)-GalNAc and Galβ-(1→ 3)-GlcNAc in ionic liquids
C Bayón, Á Cortés, J Berenguer, MJ Hernáiz
Tetrahedron 69 (24), 4973-4978, 2013
First General Route to Substituted α-Arylamino-α′-chloropropan-2-ones by Oxidation of N-Protected Aminohalohydrins: The Importance of Disrupting Hydrogen Bond Networks
V Pace, ÁC Cabrera, M Fernández, JV Sinisterra, AR Alcántara
Synthesis 2010 (20), 3545-3555, 2010
VSDMIP 1.5: an automated structure-and ligand-based virtual screening platform with a PyMOL graphical user interface
ÁC Cabrera, R Gil-Redondo, A Perona, F Gago, A Morreale
Journal of computer-aided molecular design 25 (9), 813-824, 2011
Structural bases for understanding the stereoselectivity in ketone reductions with ADH from Thermus thermophilus: A quantitative model
V Pace, ÁC Cabrera, V Ferrario, JV Sinisterra, C Ebert, L Gardossi, ...
Journal of Molecular Catalysis B: Enzymatic, 2011
Structural rationale for the cross-resistance of tumor cells bearing the A399V variant of elongation factor eEF1A1 to the structurally unrelated didemnin B, ternatin …
PA Sánchez-Murcia, Á Cortés-Cabrera, F Gago
Journal of Computer-Aided Molecular Design 31 (10), 915-928, 2017
Aggregated compound biological signatures facilitate phenotypic drug discovery and target elucidation
A Cortes Cabrera, D Lucena-Agell, M Redondo-Horcajo, I Barasoain, ...
ACS Chemical Biology 11 (11), 3024-3034, 2016
Esterase LpEst1 from Lactobacillus plantarum: a novel and atypical member of the αβ hydrolase superfamily of enzymes
Y Alvarez, M Esteban-Torres, Á Cortés-Cabrera, F Gago, I Acebrón, ...
PloS one 9 (3), e92257, 2014
CRDOCK: an ultrafast multipurpose protein-ligand docking tool
Á Cortés-Cabrera, J Klett, H G. Dos Santos, A Perona, R Gil-Redondo, ...
Journal of Chemical Information and Modeling 52 (8), 2300–2309, 2012
Highly efficient and regioselective enzymatic synthesis of β-(1→ 3) galactosides in biosolvents
C Bayón, Á Cortés, A Aires-Trapote, C Civera, MJ Hernáiz
RSC Advances 3 (30), 12155-12163, 2013
A reverse combination of structure-based and ligand-based strategies for virtual screening
A Cortés-Cabrera, F Gago, A Morreale
Journal of Computer-Aided Molecular Design, 1-9, 2012
ALFA: automatic ligand flexibility assignment
J Klett, A Cortés-Cabrera, R Gil-Redondo, F Gago, A Morreale
Journal of chemical information and modeling 54 (1), 314-323, 2014
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