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2009

The impact of monovalent ion force-field model in nucleic acids simulations

A. Noy, I. Soteras, F J. Luque, and M. Orozco
Performance of the IEF-MST Solvation Continuum Model in a Blind Test Prediction of Hydration Free Energies

I. Soteras, F. Forti, M. Orozco, and F J. Luque
Solvation enthalpies of neutral solutes in water and octanol

A. Bidon-Chanal, O. Huertas, M. Orozco, and F J. Luque
On the performance of continuum solvation methods. A comment on Universal Approaches to Solvation Modeling

A. Klamt, B. Mennucci, J. Tomasi, V. Barone, C. Curutchet, M. Orozco, and F J. Luque
Ab initio study of the structural, tautomeric, pairing, and electronic properties of seleno-derivatives of thymine

A. Vázquez-Mayagoitia, O. Huertas, M. Fuentes-Cabrera, B. G. Sumpter, M. Orozco, and F J. Luque

2008

Mechanism of product release in NO detoxification from Mycobacterium tuberculosis truncated hemoglobin N.

Journal of the American Chemical Society

M. A. Marti, A. Bidon-Chanal, A. Crespo, S-R. Yeh, V. Guallar, F J. Luque, and D. A. Estrin
Nitric oxide reactivity with globins as investigated through computer simulation.

Methods in enzymology

M. A. Marti, L. Capece, A. Bidon-Chanal, A. Crespo, V. Guallar, F J. Luque, and D. A. Estrin
Thermodynamic analysis of the hydration of neutral solutes

A. Bidon-Chanal, J. M. López, M. Orozco, and F J. Luque
Structure-directed reversion in the pi-facial stereoselective alkylation of chiral bicyclic lactams

I. Soteras, O. Lozano, C. Escolano, M. Orozco, M. Amat, J. Bosch, and F J. Luque
Induction effects in metal cation-benzene complexes

I. Soteras, C. Chipot, M. Orozco, and F J. Luque

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