Professor Michele Parrinello's Research Group




"Characterization of Vanadium Species in Mixed Chloride-Sulfate Solutions: An Ab Initio Metadynamics Study"
M. Bon, T. Laino, A. Curioni and M. Parrinello
PNAS., 2016, 120 (20), 10791-10798

"Bespoke Bias for Obtaining Free Energy Differences within Varationally Enhanced Sampling"
J. McCarty, O. Valsson and M. Parrinello
J. Chem. Theory Comput., 2016, 12 (5), 2162-2169

"Enhancing Important Fluctuations: Rare Events and metadynamics from a Conceptual Viewpoint"
O. Valsson, P. Tiwary and M. Parrinello
Annurev. Phys. Chem., 2016, 67, 59-184

"The interaction with gold suppresses fiber-like conformations of the amyloid β (16–22) peptide"
L. Bellucci, A. Ardevol, M. Parrinello, H. Lutz, H. Lu, T. Weidner and S. Corni
Nanoscale, 2016, 8, 8737-8748

"Enhanced, targeted sampling of high-dimensional free-energy landscapes using variationally enhanced sampling, with an application to chignolin"
P. Shaffer, O. Valsson and M. Parrinello
PNAS, 2016, 113 (5), 1150-1155

"General Protein data Bank-Based Collective Variables for Protein Folding"
A. Adrévol, F. Palazzesi, G. A. Tribello and M. Parrinello
J. Chem. Theory Comput., 2016, 12 (1), 29-35


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