Publications

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2012

Frontiers in Molecular Dynamics Simulations of DNA.

Accounts of chemical research

A. Pérez, F J. Luque, and M. Orozco

2011

Structural, dynamical, and electronic transport properties of modified DNA duplexes containing size-expanded nucleobases.

The journal of physical chemistry. A

J R. Blas, O. Huertas, C. Tabares, B. G. Sumpter, M. Fuentes-Cabrera, M. Orozco, P. Ordejón, and F J. Luque
Polarization effects in molecular interactions

F J. Luque, F. Dehez, C. Chipot, and M. Orozco

2010

Performance of the IEF-MST solvation continuum model in the SAMPL2 blind test prediction of hydration and tautomerization free energies

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

2009

Thienylhalomethylketones: Irreversible glycogen synthase kinase 3 inhibitors as useful pharmacological tools.

Bioorganic & medicinal chemistry

D. I. Perez, S. Conde, C. Pérez, C. Gil, D. Simon, F. Wandosell, F. J. Moreno, J L. Gelpí, F J. Luque, and A. Martínez
Role of Pre-A motif in nitric oxide scavenging by truncated hemoglobin, HbN, of Mycobacterium tuberculosis.

The Journal of biological chemistry

A. Lama, S. Pawaria, A. Bidon-Chanal, A. Anand, J L. Gelpí, S. Arya, M. Martí, D. A. Estrin, F J. Luque, and K. L. Dikshit
Synthesis, structural analysis, and biological evaluation of thioxoquinazoline derivatives as phosphodiesterase 7 inhibitors.

ChemMedChem

T. Castaño, H. Wang, N. E. Campillo, S. Ballester, C. González-García, J. Hernández, C. Pérez, J. Cuenca, A. Pérez-Castillo, A. Martínez, O. Huertas, J L. Gelpí, F J. Luque, H. Ke, and C. Gil
Thienylhalomethylketones: irreversible glycogen synthase kinase 3 inhibitors as useful pharmacological tools

D. I. Perez, S. Conde, C. Pérez, C. Gil, D. Simon, F. Wandosell, F. J. Moreno, J L. Gelpí, F J. Luque, and A. Martínez
Ab initio study of structural, tautomeric, pairing and electronic properties of seleno-derivatives of thymine

A. Vánzquez-Mayagoita, O. Huertas, G. Brancolini, B. G. Sumpter, M. Orozco, F J. Luque, R.di. Felici, and M. Fuentes-Cabrera
Unique Tautomeric and Recognition Properties of Thioketothymines?

I. Faustino, A. Aviñó, I. Marchán, F J. Luque, R. Eritja, and M. Orozco

Pages