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Journal of Chemical Theory and Computation|November 20, 2015
Transient Polymorphism in NaClFederico Giberti, Gareth A Tribello, Michele Parrinello
Journal of Chemical Theory and Computation|November 27, 2015
Static and Dynamical Properties of Liquid Water from First Principles by a Novel Car-Parrinello-like ApproachThomas D Kühne, Matthias Krack, Michele Parrinello
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 Parrinello
The Journal of Chemical Physics|February 17, 2007
From A to B in free energy spaceDavide Branduardi, Francesco Luigi Gervasio, Michele Parrinello
Journal of Chemical Theory and Computation|November 21, 2015
Demonstrating the Transferability and the Descriptive Power of Sketch-MapMichele Ceriotti, Gareth A Tribello, Michele Parrinello
Proceedings 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 Parrinello
Proceedings 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 Parrinello
Physical Review Letters|July 22, 2017
Enhancing Entropy and Enthalpy Fluctuations to Drive Crystallization in Atomistic SimulationsPablo M Piaggi, Omar Valsson, Michele Parrinello
The Journal of Physical Chemistry Letters|October 26, 2018
Combining Metadynamics and Integrated Tempering SamplingYi Isaac Yang, Haiyang Niu, Michele Parrinello
European Annals of Allergy and Clinical Immunology|October 25, 2024
An overview of hidden food allergens: need for change to the priority food allergen lists?G Parrinello, D E Fontana, D Villalta
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