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Proceedings of the National Academy of Sciences of the United States of America|February 16, 2019
Microscopic description of acid-base equilibriumEmanuele Grifoni, GiovanniMaria Piccini, Michele ParrinelloJournal of Chemical Theory and Computation|February 20, 2019
Enhanced Sampling of Transition StatesJayashrita Debnath, Michele Invernizzi, Michele ParrinelloThe Journal of Physical Chemistry Letters|June 13, 2019
Exhaustive Search of Ligand Binding Pathways via Volume-Based MetadynamicsRiccardo Capelli, Paolo Carloni, Michele ParrinelloBiophysical Journal|May 6, 2010
Linking well-tempered metadynamics simulations with experimentsAlessandro Barducci, Massimiliano Bonomi, Michele ParrinelloJournal of Computational Chemistry|May 8, 2009
Reconstructing the equilibrium Boltzmann distribution from well-tempered metadynamicsM Bonomi, A Barducci, M ParrinelloAccounts of Chemical Research|June 19, 2002
The role and perspective of ab initio molecular dynamics in the study of biological systemsPaolo Carloni, Ursula Rothlisberger, Michele ParrinelloThe Journal of Chemical Physics|August 13, 2005
Nonperiodic boundary conditions for solvated systemsGabriele Petraglio, Matteo Ceccarelli, Michele ParrinelloThe Journal of Chemical Physics|August 20, 2005
A new molecular-dynamics based approach for molecular crystal structure searchV Buch, R Martonák, M ParrinelloThe Journal of Chemical Physics|January 11, 2007
Canonical sampling through velocity rescalingGiovanni Bussi, Davide Donadio, Michele ParrinelloThe Journal of Chemical Physics|April 26, 2005
Evolution of the structure of amorphous ice: from low-density amorphous through high-density amorphous to very high-density amorphous iceR Martonák, D Donadio, M ParrinelloPageof 2,763