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Methods in Molecular Biology (Clifton, N.J.)|December 21, 2011
Using metadynamics and path collective variables to study ligand binding and induced conformational transitionsNeva Bešker, Francesco L GervasioJournal of Biomolecular Structure & Dynamics|October 16, 2013
Molecular mechanisms of activation in CDK2Neva Bešker, Andrea Amadei, Marco D'AbramoThe Journal of Physical Chemistry. B|January 23, 2016
Molecular Packing in Langmuir Monolayers Composed of a Phosphatidylcholine and a Pyrene LipidDenise Gradella Villalva, Marco Diociaiuti, Luisa Giansanti, et al.Journal of Chemical Theory and Computation|November 24, 2018
Defining an Optimal Metric for the Path Collective VariablesLadislav Hovan, Federico Comitani, Francesco L GervasioInternational Journal of Molecular Sciences|August 1, 2020
Computational Studies of SARS-CoV-2 3CLpro: Insights from MD SimulationsAlessandro Grottesi, Neva Bešker, Andrew Emerson, et al.Plos One|October 23, 2010
Multiple routes and milestones in the folding of HIV-1 protease monomerMassimiliano Bonomi, Alessandro Barducci, Francesco L Gervasio, et al.Journal of the American Chemical Society|September 25, 2008
The unfolded ensemble and folding mechanism of the C-terminal GB1 beta-hairpinMassimiliano Bonomi, Davide Branduardi, Francesco L Gervasio, et al.Accounts of Chemical Research|December 16, 2014
Investigating drug-target association and dissociation mechanisms using metadynamics-based algorithmsAndrea Cavalli, Andrea Spitaleri, Giorgio Saladino, et al.Colloids and Surfaces. B, Biointerfaces|January 12, 2016
Kinetics and mechanistic study of competitive inhibition of thymidine phosphorylase by 5-fluoruracil derivativesManuela Petaccia, Patrizia Gentili, Neva Bešker, et al.Biomolecular NMR Assignments|April 28, 2011
Backbone assignment of the tyrosine kinase Src catalytic domain in complex with imatinibRamón Campos-Olivas, Marco Marenchino, Leonardo Scapozza, et al.Pageof 5