Publications

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2006

Nature of base stacking. Reference quantum chemical stacking energies in ten unique B-DNA base pair steps

J. Sponer, P. Jurecka, I. Marchán, F J. Luque, M. Orozco, and P. Hobza
Essential Dyanmics: A Tool for Efficient Trajectory Compression and Management

T. Meyer, C. Ferrer-Costa, A. Pérez, M. Rueda, A. Bidon-Chanal, F J. Luque, C. Laughton, and M. Orozco
Aromaticity induced changes in the electronic properties of size-expanded DNA bases. The case of xC

M. Fuentes-Cabrera, P. Lipkowski, O. Huertas, B. G. Sumpter, M. Orozco, F J. Luque, JC. Wells, and J. Leszczynski
Ligand-induced dynamical regulation of NO conversion in Mycobacterium Tubercolisis truncated-hemoglobin-N

A. Bidon-Chanal, M. Martí, A. Crespo, M. Milani, M. Orozco, M. Bolognesi, F J. Luque, and D. A. Estrín
A hydrophobic similarity analysis of solvation effects on nucleic acids

J. Muñoz-Muriedas, X. Barril, J. M. López, M. Orozco, and F J. Luque
Exploring the dynamics of Calix[4]pyrrole: The effect of solvent and fluorine substitution

J R. Blas, J M. López-Bes, M. Márquez, JL. Sessler, F J. Luque, and M. Orozco
Local aromaticity in natural nucleobases and their size-expanded benzo-fused derivatives

O. Huertas, J. Poater, M. Fuentes-Cabrera, M. Orozco, M. Sola, and F J. Luque
On the origin of the stereoselectivity in the alkylation of oxazolopiperidone enolates.

I. Soteras, O. Lozano, A. Gomez-Esque, C. Escolano, M. Orozco, M. Amat, J. Bosch, and F J. Luque
Dispersion and repulsion contributions to the solvation free energy: Comparison of quantum mechanical and classical approaches in the polarizable continuum model.

C. Curutchet, M. Orozco, F J. Luque, B. Mennucci, and J. Tomasi
G-DNA can maintain its structure in the gas phase

M. Rueda, F J. Luque, and M. Orozco

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