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Journal of Chemical Theory and Computation|December 23, 2016
Dimer MetadynamicsMarco Nava, Ferruccio Palazzesi, Claudio Perego, et al.Journal of Chemical Theory and Computation|July 18, 2019
Blind Search for Complex Chemical Pathways Using Harmonic Linear Discriminant AnalysisValerio Rizzi, Dan Mendels, Emilia Sicilia, et al.The Journal of Chemical Physics|March 25, 2025
Slow dynamical modes from static averagesTimothée Devergne, Vladimir Kostic, Massimiliano Pontil, et al.Physical Review Letters|August 29, 2015
Variationally Optimized Free-Energy Flooding for Rate CalculationJames McCarty, Omar Valsson, Pratyush Tiwary, et al.Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics|October 30, 2014
Evaluating functions of positive-definite matrices using colored-noise thermostatsMarco Nava, Michele Ceriotti, Chaim Dryzun, et al.Journal of the American Chemical Society|August 16, 2021
Water-Triggered, Irreversible Conformational Change of SARS-CoV-2 Main Protease on Passing from the Solid State to Aqueous SolutionNarjes Ansari, Valerio Rizzi, Paolo Carloni, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|November 13, 2004
Azulene-to-naphthalene rearrangement: the Car-Parrinello metadynamics method explores various reaction mechanismsAndrás Stirling, Marcella Iannuzzi, Alessandro Laio, 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.Proceedings of the National Academy of Sciences of the United States of America|December 7, 2011
On the recombination of hydronium and hydroxide ions in waterAli Hassanali, Meher K Prakash, Hagai Eshet, 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.Pageof 28