Piero Altoè

COBRAMM 2.0 — A software interface for tailoring molecular electronic structure calculations and running nanoscale (QM/MM) simulations

Marco Garavelli, Irina Dokukina, Oliver Weingart, 2018, Journal of Molecular Modeling.

Structure, spectroscopy, and spectral tuning of the gas-phase retinal chromophore: the beta-ionone "handle" and alkyl group effect.

Marco Garavelli, Fernando Bernardi, Massimo Olivucci, 2005, The journal of physical chemistry. A.

A tunable QM/MM approach to chemical reactivity, structure and physico-chemical properties prediction

Marco Garavelli, Andrea Bottoni, Marco Stenta, 2007 .

Electrostatic control of the photoisomerization efficiency and optical properties in visual pigments: on the role of counterion quenching.

Marco Garavelli, Manuela Merchán, Luis Serrano-Andrés, 2009, Journal of the American Chemical Society.

Aborted double bicycle-pedal isomerization with hydrogen bond breaking is the primary event of bacteriorhodopsin proton pumping

Marco Garavelli, Massimo Olivucci, Alessandro Cembran, 2010, Proceedings of the National Academy of Sciences.

Probing and modeling the absorption of retinal protein chromophores in vacuo.

Marco Garavelli, Giorgio Orlandi, Jyoti Rajput, 2010, Angewandte Chemie.