F. Javier Luque - Dissemin

Papers authored by F. Javier Luque

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2011 Francesca Spyrakis, F. Javier Luque

, Cristiano Viappiani

Structural analysis in nonsymbiotic hemoglobins: What can we learn from inner cavities?

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Daniel I. Perez, Valle Palomo, Concepción Pérez, Carmen Gil, Pablo D. Dans, F. Javier Luque

, Santiago Conde, Ana Martínez

Switching reversibility to irreversibility in glycogen synthase kinase 3 inhibitors: clues for specific design of new compounds.

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Pau Arroyo Mañez, Changyuan Lu, Leonardo Boechi, Marcelo A. Martí, Mark Shepherd, Jayne Louise Wilson, Robert K. Poole, F. Javier Luque

, Syun-Ru Yeh, Darío A. Estrin

Role of the Distal Hydrogen-Bonding Network in Regulating Oxygen Affinity in the Truncated Hemoglobin III fromCampylobacter jejuni

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Francesca Spyrakis, Stefano Bruno, Axel Bidon-Chanal, Francisco Javier Luque

, Stefania Abbruzzetti, Cristiano Viappiani, Paola Dominici, Andrea Mozzarelli

Oxygen Binding to Arabidopsis thaliana AHb2 Nonsymbiotic Hemoglobin: Evidence for a Role in Oxygen Transport

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Francesca Spyrakis, Serena Faggiano, Stefania Abbruzzetti, Paola Dominici, Elena Cacciatori, Alessandra Astegno, Enrica Droghetti, Alessandro Feis, Giulietta Smulevich, Stefano Bruno, Andrea Mozzarelli, Pietro Cozzini, Cristiano Viappiani, A. Bidon-Chanal, F. Javier Luque

Histidine E7 Dynamics Modulates Ligand Exchange between Distal Pocket and Solvent in AHb1 fromArabidopsis thaliana

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María D. Duque, Chunlong, Chunlong Ma, Eva Torres, Jun Wang, Lieve Naesens, Jordi Juárez-Jiménez, Pelayo Camps

, F. Javier Luque, F. Javier Luque

, William F. DeGrado, Robert A. Lamb, Lawrence H. Pinto, Santiago Vázquez

Exploring the Size Limit of Templates for Inhibitors of the M2 Ion Channel of Influenza A Virus

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Patricio Flores-Morales, Claudio Diema, Marta Vilaseca, Joan Estelrich, F. Javier Luque

, Soledad Gutiérrez-Oliva, Alejandro Toro-Labbé

, Eduardo Silva

Enhanced reactivity of Lys182 explains the limited efficacy of biogenic amines in preventing the inactivation of glucose-6-phosphate dehydrogenase by methylglyoxal

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Carlos Arróniz, Carmen Escolano, F. Javier Luque

, Joan Bosch, Mercedes Amat

First asymmetric cascade reaction catalysed by chiral primary aminoalcohols

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2010 F. J. Luque

, X. Barril

In Silico Screening

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Francesca Spyrakis, Axel BidonChanal, Xavier Barril, F. Javier Luque

Protein Flexibility and Ligand Recognition: Challenges for Molecular Modeling

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Constanza Cárdenas, Axel Bidon-Chanal, Pablo Conejeros, Gloria Arenas, Sergio Marshall, F. Javier Luque

Molecular modeling of class I and II alleles of the major histocompatibility complex in Salmo salar

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Elisabet Viayna, M. Victòria Clos, Tània Gómez, Carles Galdeano, Lorena Ramírez, Míriam Ratia, Albert Badia, M. Victòria Clos, Ester Verdaguer, Félix Junyent, Antoni Camins, Mercè Pallàs

, Manuela Bartolini

, Francesca Mancini, Vincenza Andrisano and 7 other authors

Novel Huprine Derivatives with Inhibitory Activity toward β-Amyloid Aggregation and Formation as Disease-Modifying Anti-Alzheimer Drug Candidates

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Pelayo Camps

, Xavier Formosa, Carles Galdeano, Tània Gómez, Diego Muñoz-Torrero

, Lorena Ramírez, Elisabet Viayna, Elena Gómez, Nicolás Isambert, Rodolfo Lavilla, Albert Badia, M. Victòria Clos, Manuela Bartolini

, Francesca Mancini, Vincenza Andrisano and 5 other authors

Tacrine-based dual binding site acetylcholinesterase inhibitors as potential disease-modifying anti-Alzheimer drug candidates

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Carles Galdeano, Elisabet Viayna, Pau Arroyo, Axel Bidon-Chanal, J. Ramon Blas, Blas, Diego Munoz-Torrero

, F. Javier Luque

Structural Determinants of the Multifunctional Profile of Dual Binding Site Acetylcholinesterase Inhibitors as Anti-Alzheimer Agents

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Josep Rayo, Lourdes Muñoz, Gloria Rosell, Bruce D. Hammock, Angel Guerrero, F. Javier Luque

, Ramon Pouplana

Reactivity versus steric effects in fluorinated ketones as esterase inhibitors: a quantum mechanical and molecular dynamics study

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Damián E. Bikiel, Flavio Forti, Leonardo Boechi, Marco Nardini, F. Javier Luque

, Marcelo A. Martí, Darío A. Estrin

Role of Heme Distortion on Oxygen Affinity in Heme Proteins: The Protoglobin Case

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Nicola Kielland, Federica Catti, Davide Bello, Nicolas Isambert, Ignacio Soteras, F. Javier Luque

, Rodolfo Lavilla

Boron-Based Dipolar Multicomponent Reactions: Simple Generation of Substituted Aziridines, Oxazolidines and Pyrrolidines

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Ignacio Soteras, Modesto Orozco, F. Javier Luque

Performance of the IEF-MST solvation continuum model in the SAMPL2 blind test prediction of hydration and tautomerization free energies

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2009 Serena Faggiano, Stefania Abbruzzetti, Francesca Spyrakis, Elena Grandi, Cristiano Viappiani, Stefano Bruno, Andrea Mozzarelli, Pietro Cozzini, Alessandra Astegno, Paola Dominici, Silvia Brogioni, Alessandro Feis, Giulietta Smulevich, Oliver Carrillo, Peter Schmidtke and 2 other authors

Structural Plasticity and Functional Implications of Internal Cavities in Distal Mutants of Type 1 Non-Symbiotic Hemoglobin AHb1 fromArabidopsis thaliana

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Daniel I. Perez, Santiago Conde, Concepción Pérez, Carmen Gil, Diana Simon, Francisco Wandosell, Francisco J. Moreno, José L. Gelpí

, Francisco J. Luque

, Ana Martínez

Thienylhalomethylketones: Irreversible glycogen synthase kinase 3 inhibitors as useful pharmacological tools

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Papers authored by F. Javier Luque