Publications by authors named "Piero Altoe"

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COBRAMM 2.0 - A software interface for tailoring molecular electronic structure calculations and running nanoscale (QM/MM) simulations.
Oliver Weingart, Artur Nenov, Piero Altoè, Ivan Rivalta, Javier Segarra-Martí

J Mol Model· September 2018

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Product formation in rhodopsin by fast hydrogen motions.
Oliver Weingart, Piero Altoè, Marco Stenta, Andrea Bottoni, Giorgio Orlandi

Phys Chem Chem Phys· March 2011

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Aborted double bicycle-pedal isomerization with hydrogen bond breaking is the primary event of bacteriorhodopsin proton pumping.
Piero Altoè, Alessandro Cembran, Massimo Olivucci, Marco Garavelli

Proc Natl Acad Sci U S A· November 2010

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Spectroscopic Properties of Formaldehyde in Aqueous Solution: Insights from Car-Parrinello and TDDFT/CASPT2 Calculations.
Paola Lupieri, Emiliano Ippoliti, Piero Altoè, Marco Garavelli, M Mwalaba

J Chem Theory Comput· November 2010

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Conical intersection dynamics of the primary photoisomerization event in vision.
Dario Polli, Piero Altoè, Oliver Weingart, Katelyn M Spillane, Cristian Manzoni

Nature· September 2010

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Adenine deactivation in DNA resolved at the CASPT2//CASSCF/ AMBER level.
Irene Conti, Piero Altoè, Marco Stenta, Marco Garavelli, Giorgio Orlandi

Phys Chem Chem Phys· May 2010

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Probing and modeling the absorption of retinal protein chromophores in vacuo.
Jyoti Rajput, Dennis B Rahbek, Lars H Andersen, Amiram Hirshfeld, Mordechai Sheves

Angew Chem Int Ed Engl· March 2010

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Deciphering intrinsic deactivation/isomerization routes in a phytochrome chromophore model.
Piero Altoè, Teresa Climent, Giulia C De Fusco, Marco Stenta, Andrea Bottoni

J Phys Chem B· November 2009

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Catalytic Mechanism of Diaminopimelate Epimerase: A QM/MM Investigation.
Marco Stenta, Matteo Calvaresi, Piero Altoè, Domenico Spinelli, Marco Garavelli

J Chem Theory Comput· July 2009

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Electrostatic control of the photoisomerization efficiency and optical properties in visual pigments: on the role of counterion quenching.
Gaia Tomasello, Gloria Olaso-González, Piero Altoè, Marco Stenta, Luis Serrano-Andrés

J Am Chem Soc· April 2009

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Multistate photo-induced relaxation and photoisomerization ability of fumaramide threads: a computational and experimental study.
Piero Altoè, Natalia Haraszkiewicz, Francesco G Gatti, Piet G Wiering, Céline Frochot

J Am Chem Soc· January 2009

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The catalytic activity of proline racemase: a quantum mechanical/molecular mechanical study.
Marco Stenta, Matteo Calvaresi, Piero Altoè, Domenico Spinelli, Marco Garavelli

J Phys Chem B· January 2008

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Structure, spectroscopy, and spectral tuning of the gas-phase retinal chromophore: the beta-ionone "handle" and alkyl group effect.
Alessandro Cembran, Remedios Gonzalez-Luque, Piero Altoè, Manuela Merchan, Fernando Bernardi

J Phys Chem A· July 2005

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Solvent effects on the vibrational activity and photodynamics of the green fluorescent protein chromophore: a quantum-chemical study.
Piero Altoe', Fernando Bernardi, Marco Garavelli, Giorgio Orlandi, Fabrizia Negri

J Am Chem Soc· March 2005

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