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S
Soteras, I, Curutchet C, Bidon-Chanal A, Dehez F, Angyan JG, Orozco M, Chipot C, Luque FJ.  2007.  Derivation of distributed models of atomic polarizability for molecular Simulations. Journal of Chemical Theory and Computation. 3(6):1901-1913. Abstract
Soliva, R, Garcia GR, Blas JR, Eritja R, Asensio JL, Gonzalez C, Luque FJ, Orozco M.  2000.  DNA-triplex stabilizing properties of 8-aminoguanine. Nucleic acids research. 28(22):4531-4539. Abstract
P
Perez, A, Luque FJ, Orozco M.  2007.  Dynamics of B-DNA on the microsecond time scale. Journal of the American Chemical Society. 129(47):14739-14745. Abstract
N
Noy, A, Meyer T, Rueda M, Ferrer C, Valencia A, Perez A, de la Cruz X, Lopez-Bes JM, Pouplana R, Fernandez-Recio J et al..  2006.  Data mining of molecular dynamics trajectories of nucleic acids. Journal of Biomolecular Structure & Dynamics. 23(4):447-456. Abstract
M
Munoz-Ruiz, P, Rubio L, Garcia-Palomero E, Dorronsoro I, del Monte-Millan M, Valenzuela R, Usan P, de Austria C, Bartolini M, Andrisano V et al..  2005.  Design, synthesis, and biological evaluation of dual binding site acetylcholinesterase inhibitors: new disease-modifying agents for Alzheimer's disease. Journal of medicinal chemistry. 48(23):7223-7233. Abstract
H
Hossein-Nejad, H, Curutchet C, Kubica A, Scholes GD.  2011.  Delocalization-Enhanced Long-Range Energy Transfer between Cryptophyte Algae PE545 Antenna Proteins. Journal of Physical Chemistry B. 115(18):5243-5253. Abstract
Hernandez, J, Estelrich J, Pouplana R.  1987.  Determination of the encapsulation efficiency in liposomes obtained by the 'extruder method'. Journal of microencapsulation. 4(4):315-320. Abstract
G
Gallego, J, Luque FJ, Orozco M, Burgos C, Alvarez-Builla J, Rodrigo MM, Gago F.  1994.  DNA sequence-specific reading by echinomycin: role of hydrogen bonding and stacking interactions. Journal of medicinal chemistry. 37(11):1602-1609. Abstract
F
Faustino, I, Curutchet C, Luque JF, Orozco M.  2014.  The DNA-forming properties of 6-selenoguanine. Phys. Chem. Chem. Phys.. 16:1101-1110. Abstract
C
Curutchet, C, Orozco M, Luque FJ, Mennucci B, Tomasi J.  2006.  Dispersion and repulsion contributions to the solvation free energy: Comparison of quantum mechanical and classical approaches in the polarizable continuum model. Journal of Computational Chemistry. 27(15):1769-1780. Abstract
Curutchet, C, Voityuk AA.  2012.  Distance Dependence of Triplet Energy Transfer in Water and Organic Solvents: A QM/MD Study. Journal of Physical Chemistry C. 116(42):22179-22185. Abstract
Curutchet, C, Mennucci B, Scholes GD, Beljonne D.  2008.  Does forster theory predict the rate of electronic energy transfer for a model dyad at low temperature? Journal of Physical Chemistry B. 112(12):3759-3766. Abstract
Caprasecca, S, Curutchet C, Mennucci B.  2013.  Dissecting the Nature of Exciton Interactions in Ethyne-Linked Tetraarylporphyrin Arrays. Journal of Physical Chemistry C. 117(24):12423-12431. Abstract
B
Brancolini, G, Migliore A, Corni S, Fuentes-Cabrera M, Luque FJ, Di Felice R.  2013.  Dynamical treatment of charge transfer through duplex nucleic acids containing modified adenines. ACS Nano. 7:9396-9406.
Bidon-Chanal, A, Marti MA, Estrin DA, Luque FJ.  2007.  Dynamical regulation of ligand migration by a gate-opening molecular switch in truncated hemoglobin-N from Mycobacterium tuberculosis. Journal of the American Chemical Society. 129(21):6782-6788. Abstract
Baurin, N, Aboul-Ela F, Barril X, Davis B, Drysdale M, Dymock B, Finch H, Fromont C, Richardson C, Simmonite H et al..  2004.  Design and characterization of libraries of molecular fragments for use in NMR screening against protein targets. Journal of chemical information and computer sciences. 44(6):2157-2166. Abstract
Barril, X.  2013.  Druggability predictions: methods, limitations, and applications. Wiley Interdisciplinary Reviews: Computational Molecular Science. 3(4):327-338. Abstract
A
Alonso, D, Dorronsoro I, Rubio L, Munoz P, Garcia-Palomero E, Monte DM, Bidon-Chanal A, Orozco M, Luque FJ, Castro A et al..  2005.  Donepezil-tacrine hybrid related derivatives as new dual binding site inhibitors of AChE. Bioorganic & medicinal chemistry. 13(24):6588-6597. Abstract