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Recent Publications

Unbinding Kinetics of a p38 MAP Kinase Type II Inhibitor from Metadynamics Simulations.
Rodrigo Casasnovas, Vittorio Limongelli, Pratyush Tiwary, Paolo Carloni, and Michele Parrinello
Journal of the American Chemical Society, (2017) Washington, DC: American Chemical Society.
Coarse graining from variationally enhanced sampling applied to the Ginzburg-Landau model.
Michele Invernizzi, Omar Valsson, and Michele Parrinello
Proceedings of the National Academy of Sciences of the United States of America, (2017) Washington, DC: National Academy of Sciences.
Ligand binding to telomeric G-quadruplex DNA investigated by funnel-metadynamics simulations.
Federica Moraca, Jussara Amato, Francesco Ortuso, Anna Artese, Bruno Pagano, Ettore Novellino, Stefano Alcaro, Michele Parrinello, and Vittorio Limongelli
Proceedings of the National Academy of Sciences of the United States of America, (2017) Washington, DC: National Academy of Sciences.
Analyzing and Driving Cluster Formation in Atomistic Simulations.
Gareth A. Tribello, Federico Giberti, Gabriele C. Sosso, Matteo Salvalaglio, and Michele Parrinello
Journal of Chemical Theory and Computation, (2017) Washington, DC: American Chemical Society.

News

The 2017 Dreyfus Prize in the Chemical Sciences has been awarded to Professor Michele Parrinello.

 
 
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Sat Jun 24 07:32:09 CEST 2017
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