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Physical Chemistry

Working Paper

The Structural Changes in the Signaling Mechanism of Bacteriophytochromes in Solution Revealed by a Multiscale Computational Investigation

Veronica Macaluso, Giacomo Salvadori, Lorenzo Cupellini, Benedetta Mennucci

Version 1 posted 18 January 2021

334

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Physical Chemistry

Working Paper

Absorption and Circular Dichroism Spectra of Molecular Aggregates with the Full Cumulant Expansion.

Lorenzo Cupellini, Filippo Lipparini, Jianshu Cao

Version 1 posted 08 June 2020

402

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Theoretical and Computational Chemistry

Working Paper

How the pH controls photoprotection in the light-harvesting complex of mosses

Laura Pedraza-González, Edoardo Cignoni, Jacopo D’Ascenzi, Lorenzo Cupellini, Benedetta Mennucci

Version 1 posted 12 January 2023

549

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Theoretical and Computational Chemistry

Working Paper

From Crystallographic Data to Solution Structure of Photoreceptors: The Case of AppA BLUF Domain

Shaima Hashem, Veronica Macaluso, Michele Nottoli, Filippo Lipparini, Lorenzo Cupellini, Benedetta Mennucci

Version 1 posted 07 June 2021

262

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1

Citations

Biological and Medicinal Chemistry

Working Paper

A New Perspective for Nonphotochemical Quenching in Plant Antenna Complexes

Edoardo Cignoni, Margherita Lapillo, Lorenzo Cupellini, Silvia Acosta Gutierrez, Francesco Luigi Gervasio, Benedetta Mennucci

Version 1 posted 15 June 2021

286

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Physical Chemistry

Working Paper

The Molecular Mechanisms of Photoactivation of Orange Carotenoid Protein Revealed by Molecular Dynamics

Mattia Bondanza, Lorenzo Cupellini, Pietro Faccioli, Benedetta Mennucci

Version 1 posted 01 October 2020

1,057

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Theoretical and Computational Chemistry

Working Paper

Tidying up the conformational ensemble of a disordered peptide by computational prediction of spectroscopic fingerprints

Monika Michaelis, Lorenzo Cupellini, Carl Mensch, Carole C. Perry, Massimo Delle Piane, Lucio Colombi Ciacchi

Version 2 posted 09 August 2022

563

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Theoretical and Computational Chemistry

Working Paper

Protein control of photochemistry and transient intermediates in phytochromes

Giacomo Salvadori, Veronica Macaluso, Giulia Pellicci, Lorenzo Cupellini, Giovanni Granucci, Benedetta Mennucci

Version 2 posted 08 August 2022

487

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1

Citations

Catalysis

Working Paper

Protein-driven electron transfer process in a fatty acid photodecarboxylase

Giacomo Londi, Giacomo Salvadori, Patrizia Mazzeo, Lorenzo Cupellini, Benedetta Mennucci

Version 2 posted 07 November 2024

308

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Theoretical and Computational Chemistry

Working Paper

Predicting Solvatochromism of Chromophores in Proteins through QM/MM and Machine Learning

Amanda Arcidiacono, Edoardo Cignoni, Patrizia Mazzeo, Lorenzo Cupellini, Benedetta Mennucci

Version 1 posted 29 January 2024

281

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18 results in Lorenzo Cupellini in Authors: Lorenzo Cupellini

The Structural Changes in the Signaling Mechanism of Bacteriophytochromes in Solution Revealed by a Multiscale Computational Investigation

Absorption and Circular Dichroism Spectra of Molecular Aggregates with the Full Cumulant Expansion.

How the pH controls photoprotection in the light-harvesting complex of mosses

From Crystallographic Data to Solution Structure of Photoreceptors: The Case of AppA BLUF Domain

A New Perspective for Nonphotochemical Quenching in Plant Antenna Complexes

The Molecular Mechanisms of Photoactivation of Orange Carotenoid Protein Revealed by Molecular Dynamics

Tidying up the conformational ensemble of a disordered peptide by computational prediction of spectroscopic fingerprints

Protein control of photochemistry and transient intermediates in phytochromes

Protein-driven electron transfer process in a fatty acid photodecarboxylase

Predicting Solvatochromism of Chromophores in Proteins through QM/MM and Machine Learning

18 results in Authors: Lorenzo Cupellini