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Journal Article
Cubero, E, Guimil-Garcia R, Luque FJ, Eritja R, Orozco M.  2001.  The effect of amino groups on the stability of DNA duplexes and triplexes based on purines derived from inosine. Nucleic acids research. 29(12):2522-2534. Abstract
Curutchet, C, Munoz-Losa A, Monti S, Kongsted J, Scholes GD, Mennucci B.  2009.  Electronic Energy Transfer in Condensed Phase Studied by a Polarizable QM/MM Model. Journal of Chemical Theory and Computation. 5(7):1838-1848. Abstract
Curutchet, C, Cramer CJ, Truhlar DG, Ruiz-Lopez MF, Rinaldi D, Orozco M, Luque FJ.  2003.  Electrostatic component of solvation: Comparison of SCRF continuum models. Journal of Computational Chemistry. 24(3):284-297. Abstract
Curutchet, C, Bofill JM, Hernandez B, Orozco M, Luque FJ.  2003.  Energy decomposition in molecular complexes: Implications for the treatment of polarization in molecular simulations. Journal of Computational Chemistry. 24(10):1263-1275. Abstract
Curutchet, C, Novoderezhkin VI, Kongsted J, Munoz-Losa A, van Grondelle R, Scholes GD, Mennucci B.  2013.  Energy Flow in the Cryptophyte PE545 Antenna Is Directed by Bilin Pigment Conformation. Journal of Physical Chemistry B. 117(16):4263-4273. Abstract
Curutchet, C, Voityuk AA.  2011.  Environment effects on triplet-triplet energy transfer in DNA. Chemical Physics Letters. 512(1-3):118-122. 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
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
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
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
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
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
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
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.
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
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
Capece, L, Marti MA, Bidon-Chanal A, Nadra A, Luque FJ, Estrin DA.  2009.  High pressure reveals structural determinants for globin hexacoordination: neuroglobin and myoglobin cases. Proteins. 75(4):885-894. Abstract
Spyrakis, F, Faggiano S, Abbruzzetti S, Dominici P, Cacciatori E, Astegno A, Droghetti E, Feis A, Smulevich G, Bruno S et al..  2011.  Histidine E7 dynamics modulates ligand exchange between distal pocket and solvent in AHb1 from Arabidopsis thaliana. The journal of physical chemistry.B. 115(14):4138-4146. Abstract
Cubero, E, Avino A, de la Torre BG, Frieden M, Eritja R, Luque FJ, Gonzalez C, Orozco M.  2002.  Hoogsteen-based parallel-stranded duplexes of DNA. Effect of 8-amino-purine derivatives. Journal of the American Chemical Society. 124(12):3133-3142. Abstract
Scholes, GD, Curutchet C, Mennucci B, Cammi R, Tomasi J.  2007.  How solvent controls electronic energy transfer and light harvesting. Journal of Physical Chemistry B. 111(25):6978-6982. Abstract
Curutchet, C, Scholes GD, Mennucci B, Cammi R.  2007.  How solvent controls electronic energy transfer and light harvesting: Toward a quantum-mechanical description of reaction field and screening effects. Journal of Physical Chemistry B. 111(46):13253-13265. Abstract
Galdeano, C, Viayna E, Sola I, Formosa X, Camps P, Badia A, Clos MV, Relat J, Ratia M, Bartolini M et al..  2012.  Huprine–Tacrine Heterodimers as Anti-Amyloidogenic Compounds of Potential Interest against Alzheimer’s and Prion Diseases. J. Med. Chem. . 55
Wong, CY, Curutchet C, Tretiak S, Scholes GD.  2009.  Ideal dipole approximation fails to predict electronic coupling and energy transfer between semiconducting single-wall carbon nanotubes. Journal of Chemical Physics. 130(8) Abstract
Sharp, SY, Prodromou C, Boxall K, Powers MV, Holmes JL, Box G, Matthews TP, Cheung KM, Kalusa A, James K et al..  2007.  Inhibition of the heat shock protein 90 molecular chaperone in vitro and in vivo by novel, synthetic, potent resorcinylic pyrazole/isoxazole amide analogues. Molecular cancer therapeutics. 6(4):1198-1211. Abstract
Cubero, E, Luque FJ, Orozco M.  1998.  Is polarization important in cation-pi interactions? Proceedings of the National Academy of Sciences of the United States of America. 95(11):5976-5980. Abstract