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Journal of Chemical Theory and Computation|December 13, 2018
Accelerating the Calculation of Protein-Ligand Binding Free Energy and Residence Times Using Dynamically Optimized Collective VariablesZ Faidon Brotzakis, Vittorio Limongelli, Michele ParrinelloThe Journal of Chemical Physics|February 17, 2007
From A to B in free energy spaceDavide Branduardi, Francesco Luigi Gervasio, Michele ParrinelloJournal of Chemical Theory and Computation|November 21, 2015
Demonstrating the Transferability and the Descriptive Power of Sketch-MapMichele Ceriotti, Gareth A Tribello, Michele ParrinelloProceedings of the National Academy of Sciences of the United States of America|July 7, 2011
From the Cover: Simplifying the representation of complex free-energy landscapes using sketch-mapMichele Ceriotti, Gareth A Tribello, Michele ParrinelloProceedings of the National Academy of Sciences of the United States of America|March 24, 2012
Locating binding poses in protein-ligand systems using reconnaissance metadynamicsPär Söderhjelm, Gareth A Tribello, Michele ParrinelloThe Journal of Physical Chemistry Letters|October 26, 2018
Combining Metadynamics and Integrated Tempering SamplingYi Isaac Yang, Haiyang Niu, Michele ParrinelloNature Communications|March 13, 2025
Machine learning-driven molecular dynamics unveils a bulk phase transformation driving ammonia synthesis on barium hydrideAxel Tosello Gardini, Umberto Raucci, Michele ParrinelloPharmaceutics|December 23, 2022
Kinetics of Drug Release from Clay Using Enhanced Sampling MethodsAna Borrego-Sánchez, Jayashrita Debnath, Michele ParrinelloThe Journal of Chemical Physics|July 16, 2008
An efficient and accurate decomposition of the Fermi operatorMichele Ceriotti, Thomas D Kühne, Michele ParrinelloJournal of Chemical Theory and Computation|April 9, 2021
Phase Equilibrium of Water with Hexagonal and Cubic Ice Using the SCAN FunctionalPablo M Piaggi, Athanassios Z Panagiotopoulos, Pablo G Debenedetti, et al.Pageof 28