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Journal of Computational Chemistry|October 12, 2019
Direct Derivation of Free Energies of Membrane Deformation and Other Solvent Density Variations From Enhanced Sampling Molecular DynamicsGiacomo Fiorin, Fabrizio Marinelli, José D Faraldo-GómezPlos Computational Biology|August 8, 2009
A kinetic model of trp-cage folding from multiple biased molecular dynamics simulationsFabrizio Marinelli, Fabio Pietrucci, Alessandro Laio, et al.Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics|September 28, 2010
Metadynamics convergence law in a multidimensional systemYanier Crespo, Fabrizio Marinelli, Fabio Pietrucci, et al.Journal of Computational Chemistry|July 8, 2015
Atomic-resolution dissection of the energetics and mechanism of isomerization of hydrated ATP-Mg(2+) through the SOMA string methodDavide Branduardi, Fabrizio Marinelli, José D Faraldo-GómezJournal of the American Chemical Society|August 4, 2009
Substrate binding mechanism of HIV-1 protease from explicit-solvent atomistic simulationsFabio Pietrucci, Fabrizio Marinelli, Paolo Carloni, et al.The Journal of Physical Chemistry. B|February 27, 2009
Exploring the folding free energy landscape of insulin using bias exchange metadynamicsNevena Todorova, Fabrizio Marinelli, Stefano Piana, et al.The Journal of Physical Chemistry. B|February 19, 2010
Optimizing the performance of bias-exchange metadynamics: folding a 48-residue LysM domain using a coarse-grained modelPilar Cossio, Fabrizio Marinelli, Alessandro Laio, et al.The Journal of General Physiology|November 9, 2016
Structure and mechanism of the ATP synthase membrane motor inferred from quantitative integrative modelingVanessa Leone, José D Faraldo-GómezElife|February 11, 2017
Atomistic simulations indicate the c-subunit ring of the F1Fo ATP synthase is not the mitochondrial permeability transition poreWenchang Zhou, Fabrizio Marinelli, Corrine Nief, et al.Journal of Gastroenterology|March 12, 2013
Diet, microbes, and host genetics: the perfect storm in inflammatory bowel diseasesVanessa Leone, Eugene B Chang, Suzanne DevkotaPageof 8