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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 Chemical Theory and Computation|November 24, 2018
Defining an Optimal Metric for the Path Collective VariablesLadislav Hovan, Federico Comitani, Francesco L GervasioPlos 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.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.Journal of the American Chemical Society|October 12, 2016
Understanding Cryptic Pocket Formation in Protein Targets by Enhanced Sampling SimulationsVladimiras Oleinikovas, Giorgio Saladino, Benjamin P Cossins, et al.Science Advances|April 22, 2026
CryptoBank: A resource for the identification and prediction of cryptic sites in proteinsPedro Febrer Martinez, Thorben Fröhlking, Alberto Borsatto, et al.Journal of Chemical Theory and Computation|November 18, 2015
New Insights into the Molecular Mechanism of E-Cadherin-Mediated Cell Adhesion by Free Energy CalculationsFabio Doro, Giorgio Saladino, Laura Belvisi, et al.Chemical Science|August 5, 2021
Aromatic side-chain flips orchestrate the conformational sampling of functional loops in human histone deacetylase 8Vaibhav Kumar Shukla, Lucas Siemons, Francesco L Gervasio, et al.Pageof 4