Publications

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2006

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
Benzoderivatives of nucleic acid bases as modified DNA building blocks

O. Huertas, J R. Blas, I. Soteras, M. Orozco, and F J. Luque
Theoretical study of the Hoogsteen<–>Watson-Crick junctions in DNA

E. Cubero, F J. Luque, and M. Orozco
Destabilization of quadruplex DNA by 8-aminoguanine

J. López de la Osa, C. González, R. Gargallo, E. Cubero, A. Aviñó, M. Orozco, and R. Eritja
Datamining of molecular dynamics trajectories of nucleic acids

A. Noy, T. Meyer, M. Rueda, C. Ferrer, A. Valencia, A. Pérez, X. de la Cruz, J M. López-Bes, F J. Luque, and M. Orozco
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

Pages