Carles Curutchet - Search Results

Year	Number of Results
2003	2
2005	2
2006	3
2007	5
2008	1
2009	6
2010	3
2011	6
2012	2
2013	4
2014	4
2015	7
2016	2
2017	5
2018	3
2019	1
2020	2
2021	1
2023	4
2024	0

1

Benchmarking DFT functionals for photophysics of pyranoflavylium cations.

Souza JR, Curutchet C, Aoto YA, Homem-De-Mello P. Souza JR, et al. Among authors: curutchet c. J Mol Graph Model. 2023 Jul;122:108460. doi: 10.1016/j.jmgm.2023.108460. Epub 2023 Mar 28. J Mol Graph Model. 2023. PMID: 37004417

2

Quantum Chemical Studies of Light Harvesting.

Curutchet C, Mennucci B. Curutchet C, et al. Chem Rev. 2017 Jan 25;117(2):294-343. doi: 10.1021/acs.chemrev.5b00700. Epub 2016 Mar 9. Chem Rev. 2017. PMID: 26958698 Free article.

3

On the Binding of Congo Red to Amyloid Fibrils.

Espargaró A, Llabrés S, Saupe SJ, Curutchet C, Luque FJ, Sabaté R. Espargaró A, et al. Among authors: curutchet c. Angew Chem Int Ed Engl. 2020 May 18;59(21):8104-8107. doi: 10.1002/anie.201916630. Epub 2020 Feb 19. Angew Chem Int Ed Engl. 2020. PMID: 32073233

4

How solvent controls electronic energy transfer and light harvesting: toward a quantum-mechanical description of reaction field and screening effects.

Curutchet C, Scholes GD, Mennucci B, Cammi R. Curutchet C, et al. J Phys Chem B. 2007 Nov 22;111(46):13253-65. doi: 10.1021/jp075411h. Epub 2007 Nov 1. J Phys Chem B. 2007. PMID: 17973520

5

The DNA-forming properties of 6-selenoguanine.

Faustino I, Curutchet C, Luque FJ, Orozco M. Faustino I, et al. Among authors: curutchet c. Phys Chem Chem Phys. 2014 Jan 21;16(3):1101-10. doi: 10.1039/c3cp53885k. Epub 2013 Nov 28. Phys Chem Chem Phys. 2014. PMID: 24287926

6

Engineering excitonically coupled dimers in an artificial protein for light harvesting via computational modeling.

Curti M, Maffeis V, Teixeira Alves Duarte LG, Shareef S, Hallado LX, Curutchet C, Romero E. Curti M, et al. Among authors: curutchet c. Protein Sci. 2023 Mar;32(3):e4579. doi: 10.1002/pro.4579. Protein Sci. 2023. PMID: 36715022 Free PMC article.

7

Prediction of n-octanol/water partition coefficients and acidity constants (pK_a) in the SAMPL7 blind challenge with the IEFPCM-MST model.

Viayna A, Pinheiro S, Curutchet C, Luque FJ, Zamora WJ. Viayna A, et al. Among authors: curutchet c. J Comput Aided Mol Des. 2021 Jul;35(7):803-811. doi: 10.1007/s10822-021-00394-6. Epub 2021 Jul 10. J Comput Aided Mol Des. 2021. PMID: 34244905 Free PMC article.

8

Prediction of pH-Dependent Hydrophobic Profiles of Small Molecules from Miertus-Scrocco-Tomasi Continuum Solvation Calculations.

Zamora WJ, Curutchet C, Campanera JM, Luque FJ. Zamora WJ, et al. Among authors: curutchet c. J Phys Chem B. 2017 Oct 26;121(42):9868-9880. doi: 10.1021/acs.jpcb.7b08311. Epub 2017 Oct 13. J Phys Chem B. 2017. PMID: 28957625

9

Prediction of the n-octanol/water partition coefficients in the SAMPL6 blind challenge from MST continuum solvation calculations.

Zamora WJ, Pinheiro S, German K, Ràfols C, Curutchet C, Luque FJ. Zamora WJ, et al. Among authors: curutchet c. J Comput Aided Mol Des. 2020 Apr;34(4):443-451. doi: 10.1007/s10822-019-00262-4. Epub 2019 Nov 27. J Comput Aided Mol Des. 2020. PMID: 31776809

10

Structural and energetic study of cation-π-cation interactions in proteins.

Pinheiro S, Soteras I, Gelpí JL, Dehez F, Chipot C, Luque FJ, Curutchet C. Pinheiro S, et al. Among authors: curutchet c. Phys Chem Chem Phys. 2017 Apr 12;19(15):9849-9861. doi: 10.1039/c6cp08448f. Phys Chem Chem Phys. 2017. PMID: 28352893 Free article.

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