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

scientific article published on 20 April 2019

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

artículo científico publicado en 2020

Level of Theory and Solvent Effects on DASA Absorption Properties Prediction: Comparing TD-DFT, CASPT2 and NEVPT2.

artículo científico publicado en 2017

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

scientific article published on 05 December 2019

Modeling Chemical Reactions by QM/MM Calculations: The Case of the Tautomerization in Fireflies Bioluminescent Systems.

artículo científico publicado en 2018

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

scientific article published on 26 April 2019

Optomechanical Control of Quantum Yield in Trans-Cis Ultrafast Photoisomerization of a Retinal Chromophore Model

artículo científico publicado en 2017

Photoreactivity Control Mediated by Molecular Force Probes in Stilbene

scientific article published on 21 February 2019

Role of RNA Guanine Quadruplexes in Favoring the Dimerization of SARS Unique Domain in Coronaviruses

artículo científico publicado en 2020

Simulating the Electronic Circular Dichroism Spectra of Photoreversible Peptide Conformations

artículo científico publicado en 2017

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

artículo científico publicado en 2018

The Puzzling Monopentamethylcyclopentadienyltitanium(III) Dichloride Reagent: Structure and Properties

scientific article published on 03 April 2019

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

artículo científico publicado en 2020

The role of solvation models on the computed absorption and emission spectra: the case of fireflies oxyluciferin

scientific article published on 01 February 2019

Thermodynamics of the Interaction between the Spike Protein of Severe Acute Respiratory Syndrome Coronavirus-2 and the Receptor of Human Angiotensin-Converting Enzyme 2. Effects of Possible Ligands

scientific article published on 21 October 2020

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