F. Javier Luque - Dissemin

Papers authored by F. Javier Luque

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2006 Elena Cubero, F. Javier Luque

, Modesto Orozco

Theoretical Study of the Hoogsteen–Watson-Crick Junctions in DNA

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Miguel Fuentes-Cabrera

, Pawel Lipkowski, Oscar Huertas, Bobby G. Sumpter

, Modesto Orozco, F. Javier Luque

, Jack C. Wells, Jerzy Leszczynski

Aromaticity-induced changes in electronic properties of size-expanded DNA bases: Case of xC

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Oscar Huertas, José Ramón Blas, Ignacio Soteras, Modesto Orozco, F. Javier Luque

Benzoderivatives of Nucleic Acid Bases as Modified DNA Building Blocks †

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2005 D. Alonso, I. Dorronsoro, L. Rubio, P. Muñ, P. Muñoz, E. García Palomero, M. Del Monte, A. Bidon Chanal, M. Orozco, F. J. Luque

, A. Castro, M. Medina, A. Martínez

Donepezil-tacrine hybrid related derivatives as new dual binding site inhibitors of AChE

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Ana Martinez, Mercedes Alonso, Ana Castro, Isabel Dorronsoro, J. Luis Gelpí

, J. Luis Gelpí, F. Javier Luque

, Concepción Pérez, Francisco J. Moreno

SAR and 3D-QSAR Studies on Thiadiazolidinone Derivatives: Exploration of Structural Requirements for Glycogen Synthase Kinase 3 Inhibitors

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Alberto Pérez, Jiri Sponer, Petr Jurecka, Pavel Hobza, F. Javier Luque

, Modesto Orozco

Are the Hydrogen Bonds of RNA (A⋅U) Stronger Than those of DNA (A⋅T)? A Quantum Mechanics Study

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Manuel Rueda, F. Javier Luque

, Modesto Orozco

Nature of Minor-Groove Binders−DNA Complexes in the Gas Phase

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Jordi Muñoz-Muriedas, Samantha Perspicace, Nuria Bech, Salvatore Guccione, Modesto Orozco, F. Javier Luque

Hydrophobic Molecular Similarity from MST Fractional Contributions to the Octanol/water Partition Coefficient

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Agnes Noy, Alberto Pérez, Manuel Márquez, F. Javier Luque

, Modesto Orozco

Structure, Recognition Properties, and Flexibility of the DNA·RNA Hybrid

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Carles Curutchet

, Axel Bidon-Chanal, Ignaci Soteras, Modesto Orozco, F. Javier Luque

MST Continuum Study of the Hydration Free Energies of Monovalent Ionic Species

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Alejandro Crespo, Marcelo A. Martí, Susana G. Kalko, Antonio Morreale, Modesto Orozco, Jose L. Gelpi

, F. Javier Luque, F. Javier Luque

, Darío A. Estrin

Theoretical Study of the Truncated Hemoglobin HbN: Exploring the Molecular Basis of the NO Detoxification Mechanism

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K. D., K. D. Sen, F. Javier Luque

Electrostatic exchange-correlation charge density in Be and Ne: quantal density functional theoretic analysis

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2004 Mercedes Amat, Maria Pérez, Núria Llor, Carmen Escolano, F. Javier Luque, F. Javier Luque

, Elies Molins

, Joan Bosch

Conjugate Additions to Phenylglycinol-Derived Unsaturated δ-Lactams. Enantioselective Synthesis of Uleine Alkaloids

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Antonio Morreale, Xavier de la Cruz, Tim Meyer, Josep Lluís Gelpí

, F. Javier Luque

, Modesto Orozco

Partition of protein solvation into group contributions from molecular dynamics simulations

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Sonsoles Martín-Santamaría, Jordi Muñoz-Muriedas, F. Javier Luque

, Federico Gago

Modulation of Binding Strength in Several Classes of Active Site Inhibitors of Acetylcholinesterase Studied by Comparative Binding Energy Analysis

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Antonio Morreale, Xavier de la Cruz, Tim Meyer, Josep Lluís Gelpí

, F. Javier Luque

, Modesto Orozco

Linear Response Theory: An alternative to PB and GB methods for the analysis of molecular dynamics trajectories?

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Jl Marco, Cristóbal de los Rios

, Ag Garcia, Mercedes Villarroya, Mc Carmo Carreiras, Carla Martins, Ana Eleuterio, Antonio Morreale, M. Orozco, Fj Javier Luque

Synthesis, biological evaluation and molecular modelling of diversely functionalized heterocyclic derivatives as inhibitors of acetylcholinesterase/butyrylcholinesterase and modulators of Ca2+ channels and nicotinic receptors

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Ignacio Soteras, Antonio Morreale, José María López, López José María, Modesto Orozco, Luque F. Javier, F. Javier Luque

Group contributions to the solvation free energy from MST continuum calculations

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K. D., K. D. Sen, F. Javier Luque

First-order correlation-kinetic contribution to Kohn-Sham exchange charge density function in atoms, using quantal density functional theory approach

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Carles Curutchet

, Axel Bidon-Chanal, Modesto Orozco, F. Javier Luque

MST study of group contributions for alkane derivatives: effect of the charge normalization

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Papers authored by F. Javier Luque