Journal Articles

Main content

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.
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.
Dimer Metadynamics.
Marco Nava, Ferruccio Palazzesi, Claudio Perego, and Michele Parrinello
Journal of Chemical Theory and Computation, (2017) Washington, DC: American Chemical Society.
Variational Flooding Study of a SN2 Reaction.
GiovanniMaria Piccini, James J. McCarty, Omar Valsson, and Michele Parrinello
Journal of Physical Chemistry Letters, (2017) Washington, DC: American Chemical Society.
Unbinding Kinetics of a p38 MAP Kinase Type II Inhibitor from Metadynamics Simulations.
R. Casasnovas, V. Limongelli, P. Tiwary, P. Carloni, and M. Parrinello
Journal of the American Chemical Society, (2017) American Chemical Society.
Ligand binding to telomeric G-quadruplex DNA investigated by funnel-metadynamics simulations.
F. Moraca, J. Amato, F. Ortuso, A. Artese, B. Pagano, E. Novellino, S. Alcaro, M. Parrinello, and V. Limongelli
Proceedings of the National Academy of Sciences of the United States of America, (2017) National Academy of Sciences.
New methods: General discussion.
Gonzalo Angulo, Raymond D. Astumian, Vijay Beniwal, Peter G. Bolhuis, Christoph Dellago, John Ellis, Bernd Ensing, David R. Glowacki, Sharon Hammes-Schiffer, Johannes Kästner, Tony Lelièvre, Nancy Makri, David Manolopoulos, Georg Menzl, Thomas F. Miller, Adrian Mulholland, Ewa A. Oprzeska-Zingrebe, Michele Parrinello, Eli Pollak, Jonny Proppe, Markus Reiher, Jeremy Richardson, P. Roy Chowdhury, Eduardo Sanz, Christof Schütte, Dmitry Shalashilin, Rafał Szabla, Srabani Taraphder, Ambuj Tiwari, Eric Vanden-Eijnden, Adithya Vijaykumar, and Kirill Zinovjev
Faraday Discussions, (2016) Cambridge: Royal Society of Chemistry.
Hierarchical Protein Free Energy Landscapes from Variationally Enhanced Sampling.
Patrick Shaffer, Omar Valsson, and Michele Parrinello
Journal of Chemical Theory and Computation, (2016) Washington, DC: American Chemical Society.
Chemical potential calculations in dense liquids using metadynamics.
Claudio Perego, F. Giberti, and M. Parrinello
European Physical Journal: Special Topics, (2016) Les Ulis: EDP Sciences.
Bespoke Bias for Obtaining Free Energy Differences within Variationally Enhanced Sampling.
James McCarty, Omar Valsson, and Michele Parrinello
Journal of Chemical Theory and Computation, (2016) Washington, DC: American Chemical Society.
 
 
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Wed Apr 26 21:35:48 CEST 2017
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