Lista de obras -

Aequorea's secrets revealed: New fluorescent proteins with unique properties for bioimaging and biosensing

artículo científico publicado en 2020

Are the bio- and chemiluminescence states of the firefly oxyluciferin the same as the fluorescence state?

artículo científico publicado en 2012

Beetle luciferases with naturally red- and blue-shifted emission

artículo científico publicado en 2018

Bioluminescent Nanoluciferase-Furimamide Complex: A Theoretical Study on Different Protonation States

scientific article published on 23 March 2020

Chemi- and Bioluminescence of Cyclic Peroxides.

artículo científico publicado en 2018

Chemiluminescence and Fluorescence States of a Small Model for Coelenteramide and Cypridina Oxyluciferin: A CASSCF/CASPT2 Study

artículo científico publicado en 2011

Chemiluminescence of Coelenterazine and Fluorescence of Coelenteramide: A Systematic Theoretical Study

artículo científico publicado en 2012

Color-tuning mechanism of firefly investigated by multi-configurational perturbation method

artículo científico publicado en 2010

DFT studies of trans and cis influences in the homolysis of the Co-C bond in models of the alkylcobalamins

artículo científico publicado en 2013

Effect of Protein Conformation and AMP Protonation State on Fireflies' Bioluminescent Emission

scientific article published on 20 April 2019

Electronic spectrum of the AlC(2) radical.

artículo científico publicado en 2007

Frontiers in Multiscale Modelling of Photoreceptor Proteins

artículo científico publicado en 2020

Fungal Light Emitter: Understanding Its Chemical Nature and pH-Dependent Emission in Water Solution

artículo científico publicado en 2020

Hybrid QM/MM simulations of the obelin bioluminescence and fluorescence reveal an unexpected light emitter.

artículo científico publicado en 2014

Light emission colour modulation study of oxyluciferin synthetic analogues via QM and QM/MM approaches

scientific article published on 05 December 2019

Mechanistic investigations of the 2-coumaranone chemiluminescence

artículo científico publicado en 2017

Molecular Simulations with in-deMon2k QM/MM, a Tutorial-Review

scientific article published on 26 April 2019

Multiconfigurational Quantum Chemistry Determinations of Absorption Cross Sections (σ) in the Gas Phase and Molar Extinction Coefficients (ε) in Aqueous Solution and Air–Water Interface

artículo científico publicado en 2021

Myosin flexibility: structural domains and collective vibrations.

artículo científico publicado en 2004

Photostability Mechanisms in Human γB-Crystallin: Role of the Tyrosine Corner Unveiled by Quantum Mechanics and Hybrid Quantum Mechanics/Molecular Mechanics Methodologies.

artículo científico publicado en 2012

Probing protein mechanics: residue-level properties and their use in defining domains.

artículo científico publicado en 2004

QM/MM Study of the Formation of the Dioxetanone Ring in Fireflies Through a Superoxide Ion.

artículo científico publicado en 2018

QM/MM calculations on a newly synthesised oxyluciferin substrate: new insights into the conformational effect.

artículo científico publicado en 2016

Simulation and Analysis of the Spectroscopic Properties of Oxyluciferin and Its Analogues in Water

artículo científico publicado en 2018

Systematic Theoretical Investigation on the Light Emitter of Firefly

scientific article published on 16 February 2011

The chemistry of bioluminescence: an analysis of chemical functionalities.

artículo científico

The preparation of N-acetyl-Co(III)-microperoxidase-8 (NAcCoMP8) and its ligand substitution reactions: a comparison with aquacobalamin (vitamin B(12a)).

artículo científico publicado en 2013

The role of CO2 detachment in fungal bioluminescence: thermally vs. excited state induced pathways

artículo científico publicado en 2020

The synthesis of a corrole analogue of aquacobalamin (vitamin B12a) and its ligand substitution reactions.

artículo científico publicado en 2014

Vibrations in the B4 rhombic structure

scientific article published on 01 January 2005

cis influence in models of cobalt corrins by DFT and TD-DFT studies.

artículo científico publicado en 2012

Lista de obras de

Aequorea's secrets revealed: New fluorescent proteins with unique properties for bioimaging and biosensing

Are the bio- and chemiluminescence states of the firefly oxyluciferin the same as the fluorescence state?

Beetle luciferases with naturally red- and blue-shifted emission

Bioluminescent Nanoluciferase-Furimamide Complex: A Theoretical Study on Different Protonation States

Chemi- and Bioluminescence of Cyclic Peroxides.

Chemiluminescence and Fluorescence States of a Small Model for Coelenteramide and Cypridina Oxyluciferin: A CASSCF/CASPT2 Study

Chemiluminescence of Coelenterazine and Fluorescence of Coelenteramide: A Systematic Theoretical Study

Color-tuning mechanism of firefly investigated by multi-configurational perturbation method

DFT studies of trans and cis influences in the homolysis of the Co-C bond in models of the alkylcobalamins

Effect of Protein Conformation and AMP Protonation State on Fireflies' Bioluminescent Emission

Electronic spectrum of the AlC(2) radical.

Frontiers in Multiscale Modelling of Photoreceptor Proteins

Fungal Light Emitter: Understanding Its Chemical Nature and pH-Dependent Emission in Water Solution

Hybrid QM/MM simulations of the obelin bioluminescence and fluorescence reveal an unexpected light emitter.

Light emission colour modulation study of oxyluciferin synthetic analogues via QM and QM/MM approaches

Mechanistic investigations of the 2-coumaranone chemiluminescence

Molecular Simulations with in-deMon2k QM/MM, a Tutorial-Review

Multiconfigurational Quantum Chemistry Determinations of Absorption Cross Sections (σ) in the Gas Phase and Molar Extinction Coefficients (ε) in Aqueous Solution and Air–Water Interface

Myosin flexibility: structural domains and collective vibrations.

Photostability Mechanisms in Human γB-Crystallin: Role of the Tyrosine Corner Unveiled by Quantum Mechanics and Hybrid Quantum Mechanics/Molecular Mechanics Methodologies.

Probing protein mechanics: residue-level properties and their use in defining domains.

QM/MM Study of the Formation of the Dioxetanone Ring in Fireflies Through a Superoxide Ion.

QM/MM calculations on a newly synthesised oxyluciferin substrate: new insights into the conformational effect.

Simulation and Analysis of the Spectroscopic Properties of Oxyluciferin and Its Analogues in Water

Systematic Theoretical Investigation on the Light Emitter of Firefly

The chemistry of bioluminescence: an analysis of chemical functionalities.

The preparation of N-acetyl-Co(III)-microperoxidase-8 (NAcCoMP8) and its ligand substitution reactions: a comparison with aquacobalamin (vitamin B(12a)).

The role of CO2 detachment in fungal bioluminescence: thermally vs. excited state induced pathways

The synthesis of a corrole analogue of aquacobalamin (vitamin B12a) and its ligand substitution reactions.

Vibrations in the B4 rhombic structure

cis influence in models of cobalt corrins by DFT and TD-DFT studies.