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G
Svozil, D, Sponer JE, Marchan I, Perez A, 3rd CTE, Forti F, Luque FJ, Orozco M, Sponer J.  2008.  Geometrical and electronic structure variability of the sugar-phosphate backbone in nucleic acids. The journal of physical chemistry.B. 112(27):8188-8197. Abstract
Rueda, M, Luque FJ, Orozco M.  2006.  G-quadruplexes can maintain their structure in the gas phase. Journal of the American Chemical Society. 128(11):3608-3619. Abstract
F
Perez, A, Luque FJ, Orozco M.  2012.  Frontiers in Molecular Dynamics Simulations of DNA. Acc. Chem. Res.. 45
Munoz-Losa, A, Curutchet C, Krueger BP, Hartsell LR, Mennucci B.  2009.  Fretting about FRET: Failure of the Ideal Dipole Approximation. Biophysical Journal. 96(12):4779-4788. Abstract
Luque, FJ, Barril X, Orozco M.  1999.  Fractional description of free energies of solvation. Journal of computer-aided molecular design. 13(2):139-152. Abstract
Schmidtke, P, Guilloux LV, Maupetit J, Tuffery P.  2010.  Fpocket: Online Tools for Protein Ensemble Pocket Detection and Tracking. Nucleic acids research. Abstract
Guilloux, LV, Schmidtke P, Tuffery P.  2009.  Fpocket: an open source platform for ligand pocket detection. BMC bioinformatics. 10:168-168. Abstract
Howes, R, Barril X, Dymock BW, Grant K, Northfield CJ, Robertson AG, Surgenor A, Wayne J, Wright L, James K et al..  2006.  A fluorescence polarization assay for inhibitors of Hsp90. Analytical Biochemistry. 350(2):202-213. Abstract
Arroniz, C, Molina J, Abas S, Molins E, Campanera JM, Luque FJ, Escolano C.  2013.  First diastereoselective [3+2] cycloaddition reaction of diethyl isocyanomethylphosphonate and maleimides. Organic and Biomolecular Chemistry. 11:1640-1649.
Arroniz, C, Escolano C, Luque FJ, Bosch J, Amat M.  2011.  First asymmetric cascade reaction catalysed by chiral primary aminoalcohols. Organic & biomolecular chemistry. 9(14):5079-5085. Abstract
Jurinovich, S, Curutchet C, Mennucci B.  2014.  The Fenna–Matthews–Olson Protein Revisited: A Fully Polarizable (TD)DFT/MM Description. ChemPhysChem. 15:3194–3204. Abstract
Talavera, D, Morreale A, Meyer T, Hospital A, Ferrer-Costa C, Gelpi JL, de la Cruz X, Soliva R, Luque FJ, Orozco M.  2006.  A fast method for the determination of fractional contributions to solvation in proteins. Protein science : a publication of the Protein Society. 15(11):2525-2533. Abstract
Salichs, A, Lopez M, Segarra V, Orozco M, Luque FJ.  2002.  Fast estimation of hydrogen-bonding donor and acceptor propensities: a GMIPp study. Journal of computer-aided molecular design. 16(8-9):569-583. Abstract
E
Soteras, I, Curutchet C, Bidon-Chanal A, Orozco M, Luque FJ.  2005.  Extension of the MST model to the IEF formalism: HF and B3LYP parametrizations. Journal of Molecular Structure-Theochem. 727(1-3):29-40. Abstract
Forti, F, Barril X, Luque FJ, Orozco M.  2008.  Extension of the MST continuum solvation model to the RM1 semiempirical Hamiltonian. Journal of computational chemistry. 29(4):578-587. Abstract
Juarez-Jimenez, J, Mendes E, Galdeano C, Martins C, Silva DB, Marco-Contelles J, Carreiras MC, Luque FJ, Ramsay RR.  2014.  Exploring the structural basis of the selective inhibition of monoamine oxidase A by dicarbonitrile aminoheterocycles: Role of Asn181 and Ile335 validated by spectroscopic and computational studies. Biochimica Biophysica Acta – Proteins Proteinomics. 1844
Duque, MD, Ma C, Torres E, Wang J, Naesens L, Juarez-Jimenez J, Camps P, Luque FJ, DeGrado WF, Lamb RA et al..  2011.  Exploring the size limit of templates for inhibitors of the M2 ion channel of influenza A virus. Journal of medicinal chemistry. 54(8):2646-2657. Abstract
Blas, JR, Lopez-Bes JM, Marquez M, Sessler JL, Luque FJ, Orozco M.  2007.  Exploring the dynamics of calix[4]pyrrole: effect of solvent and fluorine substitution. Chemistry (Weinheim an der Bergstrasse, Germany). 13(4):1108-1116. Abstract
Preciado, S, Vicente-Garcia E, Llabres S, Luque FJ, Rodolfo L.  2012.  Exploration of Forbidden Povarov Processes as a Source of Unexpected Reactivity: A Multicomponent Mannich–Ritter Transformation. Angew. Chem. Int. Ed.. 51
Schmidtke, P, Alvarez-garcia D, Seco J, Barril X.  2012.  Expanding the Target Space : Druggability Assessments. 44:302-318.
Novoderezhkin, VI, Doust AB, Curutchet C, Scholes GD, van Grondelle R.  2010.  Excitation Dynamics in Phycoerythrin 545: Modeling of Steady-State Spectra and Transient Absorption with Modified Redfield Theory. Biophysical Journal. 99(2):344-352. Abstract
Curutchet, C, Franceschetti A, Zunger A, Scholes GD.  2008.  Examining Forster energy transfer for semiconductor nanocrystalline quantum dot donors and acceptors. Journal of Physical Chemistry C. 112(35):13336-13341. Abstract
Llabres, S, Vicente-Garcia E, Preciado S, Guiu C, Pouplana R, Lavilla R, Luque FJ.  2013.  Evolution of a multicomponent system: Computational and mechanistic studies on the chemo and stereoselectivity of a divergent process. Chemistry - A European Journal. 19:13355-13361.
Bidon-Chanal, A, Fuertes A, Alonso D, Perez DI, Martinez A, Luque FJ, Medina M.  2013.  Evidence for a new binding mode to GSK-3: Allosteric regulation by the marine compound pallinurin. European Journal of Medicinal Chemistry. 60:479-489.
Curutchet, C, Voityuk AA.  2011.  Environment effects on triplet-triplet energy transfer in DNA. Chemical Physics Letters. 512(1-3):118-122. Abstract