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2009
Beljonne, D, Curutchet C, Scholes GD, Silbey RJ.  2009.  Beyond Forster Resonance Energy Transfer in Biological and Nanoscale Systems. Journal of Physical Chemistry B. 113(19):6583-6599. 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
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
Kim, J, Huxter VM, Curutchet C, Scholes GD.  2009.  Measurement of Electron-Electron Interactions and Correlations Using Two-Dimensional Electronic Double-Quantum Coherence Spectroscopy. Journal of Physical Chemistry A. 113(44):12122-12133. Abstract
Hennebicq, E, Beljonne D, Curutchet C, Scholes GD, Silbey RJ.  2009.  Shared-mode assisted resonant energy transfer in the weak coupling regime. Journal of Chemical Physics. 130(21) Abstract
2008
Soteras, I, Lozano O, Escolano C, Orozco M, Amat M, Bosch J, Luque FJ.  2008.  Structure-directed reversion in the pi-facial stereoselective alkylation of chiral bicyclic lactams. The Journal of organic chemistry. 73(19):7756-7763. Abstract
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
Camps, P, Formosa X, Galdeano C, Gomez T, Munoz-Torrero D, Scarpellini M, Viayna E, Badia A, Clos MV, Camins A et al..  2008.  Novel donepezil-based inhibitors of acetyl- and butyrylcholinesterase and acetylcholinesterase-induced beta-amyloid aggregation. Journal of medicinal chemistry. 51(12):3588-3598. Abstract
Soteras, I, Orozco M, Luque FJ.  2008.  Induction effects in metal cation-benzene complexes. Physical chemistry chemical physics : PCCP. 10(19):2616-2624. Abstract
Eccles, SA, Massey A, Raynaud FI, Sharp SY, Box G, Valenti M, Patterson L, de Brandon HA, Gowan S, Boxall F et al..  2008.  NVP-AUY922: a novel heat shock protein 90 inhibitor active against xenograft tumor growth, angiogenesis, and metastasis. Cancer research. 68(8):2850-2860. Abstract
Vazquez-Mayagoita, A, Huertas O, Fuentes-Cabrera M, Sumpter BG, Orozco M, Luque FJ.  2008.  Ab initio study of naphtho-homologated DNA bases. The journal of physical chemistry.B. 112(7):2179-2186. Abstract
Brough, PA, Aherne W, Barril X, Borgognoni J, Boxall K, Cansfield JE, Cheung KM, Collins I, Davies NG, Drysdale MJ et al..  2008.  4,5-diarylisoxazole Hsp90 chaperone inhibitors: potential therapeutic agents for the treatment of cancer. Journal of medicinal chemistry. 51(2):196-218. 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
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
2007
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
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
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
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
Mirkovic, T, Doust AB, Kim J, Wilk KE, Curutchet C, Mennucci B, Cammi R, Curmi PMG, Scholes GD.  2007.  Ultrafast light harvesting dynamics in the cryptophyte phycocyanin 645. Photochemical & Photobiological Sciences. 6(9):964-975. Abstract
2006
Barril, X, Soliva R.  2006.  Molecular modelling. Molecular bioSystems. 2(12):660-681.
Huertas, O, Poater J, Fuentes-Cabrera M, Orozco M, Sola M, Luque FJ.  2006.  Local aromaticity in natural nucleobases and their size-expanded benzo-fused derivatives. The journal of physical chemistry.A. 110(44):12249-12258. 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
Soteras, I, Lozano O, Gomez-Esque A, Escolano C, Orozco M, Amat M, Bosch J, Luque FJ.  2006.  On the origin of the stereoselectivity in the alkylation of oxazolopiperidone enolates. Journal of the American Chemical Society. 128(20):6581-6588. Abstract
Barril, X, Beswick MC, Collier A, Drysdale MJ, Dymock BW, Fink A, Grant K, Howes R, Jordan AM, Massey A et al..  2006.  4-Amino derivatives of the Hsp90 inhibitor CCT018159. Bioorganic & medicinal chemistry letters. 16(9):2543-2548. Abstract