Carles Curutchet

Loop profile Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 9

Top Topics

Energy Transfer

Preterm Infants

Molecular Dynamics Simulations

Top Venues

The journal of physical chemistry. B

Protein science : a publication of the Protein Society

Physical chemistry chemical physics : PCCP

Journal of computer-aided molecular design

This page only lists publications with an associated author ORCID identifier.

Publications

Adam P Moyer, Theresa A Ramelot, Mariano Curti, Margaret A Eastman, Alex Kang, Asim K Bera, Roberto Tejero, Patrick J Salveson, Carles Curutchet, Elisabet Romero, Gaetano T Montelione, David Baker
Enumerative Discovery of Noncanonical Polypeptide Secondary Structures. Journal of the American Chemical Society (2024)
William J Zamora, Antonio Viayna, Silvana Pinheiro, Carles Curutchet, Laia Bisbal, Rebeca Ruiz, Clara Ràfols, Francisco Javier Luque
Prediction of toluene/water partition coefficients in the SAMPL9 blind challenge: assessment of machine learning and IEF-PCM/MST continuum solvation models. Physical chemistry chemical physics : PCCP (2023)
Mariano Curti, Valentin Maffeis, Luís Gustavo Teixeira Alves Duarte, Saeed Shareef, Luisa Xiomara Hallado, Carles Curutchet, Elisabet Romero
Engineering excitonically coupled dimers in an artificial protein for light harvesting via computational modeling. Protein science : a publication of the Protein Society 32 (3) (2023)
Mariano Curti, Valentin Maffeis, Luís Gustavo Teixeira Alves Duarte, Saeed Shareef, Luisa Xiomara Hallado, Carles Curutchet, Elisabet Romero
Engineering excitonically coupled dimers in an artificial protein for light harvesting via computational modeling. Protein science : a publication of the Protein Society 32 (3) (2023)
Antonio Viayna, Silvana Pinheiro, Carles Curutchet, Francisco Javier Luque, William J Zamora
Prediction of n-octanol/water partition coefficients and acidity constants (pKa) in the SAMPL7 blind challenge with the IEFPCM-MST model. Journal of computer-aided molecular design 35 (7) (2021)
Carles Curutchet, Lorenzo Cupellini, Jacob Kongsted, Stefano Corni, Luca Frediani, Arnfinn Hykkerud Steindal, Ciro A Guido, Giovanni Scalmani, Benedetta Mennucci
Density-Dependent Formulation of Dispersion-Repulsion Interactions in Hybrid Multiscale Quantum/Molecular Mechanics (QM/MM) Models. Journal of chemical theory and computation 14 (3) (2018)
William J Zamora, Carles Curutchet, Josep M Campanera, Francisco Javier Luque
Prediction of pH-Dependent Hydrophobic Profiles of Small Molecules from Miertus-Scrocco-Tomasi Continuum Solvation Calculations. The journal of physical chemistry. B 121 (42) (2017)
Mortaza Aghtar, Ulrich Kleinekathöfer, Carles Curutchet, Benedetta Mennucci
Impact of Electronic Fluctuations and Their Description on the Exciton Dynamics in the Light-Harvesting Complex PE545. The journal of physical chemistry. B 121 (6) (2017)
Silvana Pinheiro, Carles Curutchet
Can Förster Theory Describe Stereoselective Energy Transfer Dynamics in a Protein-Ligand Complex? The journal of physical chemistry. B 121 (10) (2017)