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Current Opinion in Structural Biology|February 23, 2010
Targeting biomolecular flexibility with metadynamicsVanessa Leone, Fabrizio Marinelli, Paolo Carloni, et al.European Biophysics Journal : EBJ|November 11, 2003
Molecular dynamics simulations on HIV-1 TatSergio Pantano, Mudit Tyagi, Mauro Giacca, et al.Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry|August 31, 2002
Structural determinants and hydrogen-bond network of the mononuclear zinc(II)-beta-lactamase active siteMatteo Dal Peraro, Alejandro J Vila, Paolo CarloniFEBS Letters|September 6, 2011
Conformations of the Huntingtin N-term in aqueous solution from atomistic simulationsGiulia Rossetti, Pilar Cossio, Alessandro Laio, et al.Journal of Chemical Theory and Computation|December 1, 2015
Hydrogen Bonding Cooperativity in polyQ β-Sheets from First Principle CalculationsGiulia Rossetti, Alessandra Magistrato, Annalisa Pastore, et al.Proteins|March 1, 2002
NADH interactions with WT- and S94A-acyl carrier protein reductase from Mycobacterium tuberculosis: an ab initio studySergio Pantano, Frank Alber, Doriano Lamba, et al.Advances in Experimental Medicine and Biology|January 22, 2014
Chemosensorial G-proteins-coupled receptors: a perspective from computational methodsFrancesco Musiani, Giulia Rossetti, Alejandro Giorgetti, et al.Journal of the American Society for Mass Spectrometry|September 21, 2012
A computational model for protein ionization by electrospray based on gas-phase basicityRoberto Marchese, Rita Grandori, Paolo Carloni, et al.The Journal of Physical Chemistry. B|February 17, 2007
Structure and Raman spectrum of clavulanic acid in aqueous solutionAndrea Miani, Simone Raugei, Paolo Carloni, et al.Biochemistry|April 23, 2016
Carnosine and Homocarnosine Degradation Mechanisms by the Human Carnosinase Enzyme CN1: Insights from Multiscale SimulationsMatic Pavlin, Giulia Rossetti, Marco De Vivo, et al.Pageof 846