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Mostrant 221 - 230 resultats de 253

2007

Dissection of the recognition properties of p38 MAP Kinase. Determination of the binding mode of a new pyridinyl-heterocycle inhibitor family

R. Soliva, J L. Gelpí, C. Almansa, M. Virgili, and M. Orozco
A new paradigm for molecular dynamics simulations of macromolecules

M. Orozco

2006

A fast method for the determination of fractional contributions to solvation in proteins

D. Talavera, A. Morreale, A. Hospital, C. Ferrer-Costa, J L. Gelpí, X. de la Cruz, T. Meyer, R. Soliva, 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
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

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