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Nadia Rega

Showing results (41-50 of 69) with videos related to

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Frontiers in Molecular Biosciences|November 16, 2020
A Not Obvious Correlation Between the Structure of Green Fluorescent Protein Chromophore Pocket and Hydrogen Bond Dynamics: A Choreography From <i>ab initio</i> Molecular DynamicsFederico Coppola, Fulvio Perrella, Alessio Petrone, et al.
The Journal of Chemical Physics|May 20, 2006
A polarizable continuum approach for the study of heterogeneous dielectric environmentsMaria Francesca Iozzi, Maurizio Cossi, Roberto Improta, et al.
Physical Chemistry Chemical Physics : PCCP|March 29, 2014
Intermolecular proton shuttling in excited state proton transfer reactions: insights from theoryMarika Savarese, Paolo A Netti, Nadia Rega, et al.
The Journal of Physical Chemistry. B|September 2, 2021
Structural Origin and Vibrational Fingerprints of the Ultrafast Excited State Proton Transfer of the Pyranine-Acetate Complex in Aqueous SolutionMaria Gabriella Chiariello, Greta Donati, Umberto Raucci, et al.
The Journal of Physical Chemistry. A|August 30, 2016
"Watching" Polaron Pair Formation from First-Principles Electron-Nuclear DynamicsGreta Donati, David B Lingerfelt, Alessio Petrone, et al.
Journal of Chemical Theory and Computation|November 25, 2015
Methyl Phosphate Dianion Hydrolysis in Solution Characterized by Path Collective Variables Coupled with DFT-Based Enhanced Sampling SimulationsDavide Branduardi, Marco De Vivo, Nadia Rega, et al.
The Journal of Physical Chemistry. B|November 21, 2013
Exploring the metric of excited state proton transfer reactionsMarika Savarese, Paolo A Netti, Carlo Adamo, et al.
Molecules (Basel, Switzerland)|July 12, 2025
Unveiling Vibrational Couplings in Model Peptides in Solution by a Theoretical ApproachFederico Coppola, Fulvio Perrella, Alessio Petrone, et al.
Physical Chemistry Chemical Physics : PCCP|April 2, 2024
Photophysics of a nucleic acid-protein crosslinking model strongly depends on solvation dynamics: an experimental and theoretical studyGabriele Iuzzolino, Fulvio Perrella, Mohammadhassan Valadan, et al.
Journal of Computational Chemistry|August 10, 2020
Ab-initio molecular dynamics and hybrid explicit-implicit solvation model for aqueous and nonaqueous solvents: GFP chromophore in water and methanol solution as case studyUmberto Raucci, Fulvio Perrella, Greta Donati, et al.
Pageof 7

Showing results (41-50 of 69) with videos related to

Sort By:
Pageof 7
Frontiers in Molecular Biosciences|November 16, 2020
A Not Obvious Correlation Between the Structure of Green Fluorescent Protein Chromophore Pocket and Hydrogen Bond Dynamics: A Choreography From <i>ab initio</i> Molecular DynamicsFederico Coppola, Fulvio Perrella, Alessio Petrone, et al.
The Journal of Chemical Physics|May 20, 2006
A polarizable continuum approach for the study of heterogeneous dielectric environmentsMaria Francesca Iozzi, Maurizio Cossi, Roberto Improta, et al.
Physical Chemistry Chemical Physics : PCCP|March 29, 2014
Intermolecular proton shuttling in excited state proton transfer reactions: insights from theoryMarika Savarese, Paolo A Netti, Nadia Rega, et al.
The Journal of Physical Chemistry. B|September 2, 2021
Structural Origin and Vibrational Fingerprints of the Ultrafast Excited State Proton Transfer of the Pyranine-Acetate Complex in Aqueous SolutionMaria Gabriella Chiariello, Greta Donati, Umberto Raucci, et al.
The Journal of Physical Chemistry. A|August 30, 2016
"Watching" Polaron Pair Formation from First-Principles Electron-Nuclear DynamicsGreta Donati, David B Lingerfelt, Alessio Petrone, et al.
Journal of Chemical Theory and Computation|November 25, 2015
Methyl Phosphate Dianion Hydrolysis in Solution Characterized by Path Collective Variables Coupled with DFT-Based Enhanced Sampling SimulationsDavide Branduardi, Marco De Vivo, Nadia Rega, et al.
The Journal of Physical Chemistry. B|November 21, 2013
Exploring the metric of excited state proton transfer reactionsMarika Savarese, Paolo A Netti, Carlo Adamo, et al.
Molecules (Basel, Switzerland)|July 12, 2025
Unveiling Vibrational Couplings in Model Peptides in Solution by a Theoretical ApproachFederico Coppola, Fulvio Perrella, Alessio Petrone, et al.
Physical Chemistry Chemical Physics : PCCP|April 2, 2024
Photophysics of a nucleic acid-protein crosslinking model strongly depends on solvation dynamics: an experimental and theoretical studyGabriele Iuzzolino, Fulvio Perrella, Mohammadhassan Valadan, et al.
Journal of Computational Chemistry|August 10, 2020
Ab-initio molecular dynamics and hybrid explicit-implicit solvation model for aqueous and nonaqueous solvents: GFP chromophore in water and methanol solution as case studyUmberto Raucci, Fulvio Perrella, Greta Donati, et al.
Pageof 7