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Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society for Photobiology|November 13, 2024
OLUFF: a novel set of ground and excited state force field parameters of the emitting oxyluciferin speciesHenar Mateo-delaFuente, Juan J Nogueira
Physical Chemistry Chemical Physics : PCCP|June 12, 2023
The protein environment restricts the intramolecular charge transfer character of the luciferine/luciferase complexHenar Mateo-delaFuente, Davide Avagliano, Marco Garavelli, et al.
Computational Biology and Chemistry|June 5, 2026
Characterization of the phenolate-keto oxyluciferin/luciferase interactions in the S1 state by QM/MM energy decomposition analysisHenar Mateo-delaFuente, Nuria Anguita-Ortiz, Marcos Mandado, et al.
Journal of Computational Chemistry|December 12, 2022
MoBioTools: A toolkit to setup quantum mechanics/molecular mechanics calculationsGustavo Cárdenas, Jesús Lucia-Tamudo, Henar Mateo-delaFuente, et al.
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