Antonio Morreale
Antonio Morreale
Repsol, S.A.
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TítuloCitado porAño
Theoretical study of the truncated hemoglobin HbN: exploring the molecular basis of the NO detoxification mechanism
A Crespo, MA Martí, SG Kalko, A Morreale, M Orozco, JL Gelpi, FJ Luque, ...
Journal of the American Chemical Society 127 (12), 4433-4444, 2005
Synthesis, biological evaluation and molecular modelling of diversely functionalized heterocyclic derivatives as inhibitors of acetylcholinesterase/butyrylcholinesterase and …
JL Marco, C de los Rı́os, AG Garcı́a, M Villarroya, MC Carreiras, C Martins, ...
Bioorganic & medicinal chemistry 12 (9), 2199-2218, 2004
Continuum solvation models: Dissecting the free energy of solvation
FJ Luque, C Curutchet, J Munoz-Muriedas, A Bidon-Chanal, I Soteras, ...
Physical Chemistry Chemical Physics 5 (18), 3827-3836, 2003
Cooperativity Between T Cell Receptor Complexes Revealed by Conformational Mutants of CD3ɛ
N Martinez-Martin, RM Risueno, A Morreale, I Zaldivar, ...
Sci. Signal. 2 (83), ra43-ra43, 2009
The principle of maximum chiral discrimination: chiral recognition in permethyl-β-cyclodextrin
KB Lipkowitz, R Coner, MA Peterson, A Morreale, J Shackelford
The Journal of organic chemistry 63 (3), 732-745, 1998
Computational study on the difference between the Co–C bond dissociation energy in methylcobalamin and adenosylcobalamin
N Dölker, A Morreale, F Maseras
JBIC Journal of Biological Inorganic Chemistry 10 (5), 509-517, 2005
Computational approaches to model ligand selectivity in drug design
AR Ortiz, P Gomez-Puertas, A Leo-Macias, P Lopez-Romero, ...
Current Topics in Medicinal Chemistry 6 (1), 41-55, 2006
The amino terminal domain from Mrt4 protein can functionally replace the RNA binding domain of the ribosomal P0 protein
M Rodríguez-Mateos, D Abia, JJ García-Gómez, A Morreale, J De La Cruz, ...
Nucleic acids research 37 (11), 3514-3521, 2009
MM-ISMSA: an ultrafast and accurate scoring function for protein–protein docking
J Klett, A Núñez-Salgado, HG Dos Santos, A Cortés-Cabrera, A Perona, ...
Journal of chemical theory and computation 8 (9), 3395-3408, 2012
Insights into nucleotide recognition by cell division protein FtsZ from a mant-GTP competition assay and molecular dynamics
C Schaffner-Barbero, R Gil-Redondo, LB Ruiz-Avila, S Huecas, ...
Biochemistry 49 (49), 10458-10472, 2010
A new implicit solvent model for protein–ligand docking
A Morreale, R Gil‐Redondo, AR Ortiz
PROTEINS: Structure, Function, and Bioinformatics 67 (3), 606-616, 2007
Tubulin-based structure-affinity relationships for antimitotic Vinca alkaloids
C Coderch, A Morreale, F Gago
Anti-Cancer Agents in Medicinal Chemistry (Formerly Current Medicinal …, 2012
Novel HLA-B27-restricted epitopes from Chlamydia trachomatis generated upon endogenous processing of bacterial proteins suggest a role of molecular mimicry in reactive arthritis
C Alvarez-Navarro, JJ Cragnolini, HG Dos Santos, E Barnea, A Admon, ...
Journal of Biological Chemistry 288 (36), 25810-25825, 2013
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
E Maalej, F Chabchoub, A Samadi, C de los Ríos, A Perona, A Morreale, ...
Bioorganic & medicinal chemistry letters 21 (8), 2384-2388, 2011
Protein-protein interaction antagonists as novel inhibitors of non-canonical polyubiquitylation
J Scheper, M Guerra-Rebollo, G Sanclimens, A Moure, I Masip, ...
PloS one 5 (6), e11403, 2010
Ligand-receptor interaction at the neural nicotinic acetylcholine binding site: a theoretical model
A Morreale, F Maseras, I Iriepa, E Gálvez
Journal of Molecular Graphics and Modelling 21 (2), 111-118, 2002
Semisynthetic peptide–lipase conjugates for improved biotransformations
O Romero, M Filice, B de las Rivas, C Carrasco-Lopez, J Klett, A Morreale, ...
Chemical Communications 48 (72), 9053-9055, 2012
Structure-based discovery of novel non-nucleosidic DNA alkyltransferase inhibitors: virtual screening and in vitro and in vivo activities
FM Ruiz, R Gil-Redondo, A Morreale, AR Ortiz, C Fábrega, J Bravo
Journal of chemical information and modeling 48 (4), 844-854, 2008
Interactions of bacterial cell division protein FtsZ with C8-substituted guanine nucleotide inhibitors. A combined NMR, biochemical and molecular modeling perspective
F Marcelo, S Huecas, LB Ruiz-Ávila, FJ Cañada, A Perona, A Poveda, ...
Journal of the American Chemical Society 135 (44), 16418-16428, 2013
VSDMIP: virtual screening data management on an integrated platform
R Gil-Redondo, J Estrada, A Morreale, F Herranz, J Sancho, AR Ortiz
Journal of computer-aided molecular design 23 (3), 171-184, 2009
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