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Proceedings of the National Academy of Sciences of the United States of America|May 9, 2018
Developing a molecular dynamics force field for both folded and disordered protein statesPaul Robustelli, Stefano Piana, David E Shaw
Journal of the American Chemical Society|April 24, 2020
Mechanism of Coupled Folding-upon-Binding of an Intrinsically Disordered ProteinPaul Robustelli, Stefano Piana, David E Shaw
The Journal of Physical Chemistry. B|March 13, 2015
Water dispersion interactions strongly influence simulated structural properties of disordered protein statesStefano Piana, Alexander G Donchev, Paul Robustelli, et al.
Journal of Chemical Theory and Computation|January 9, 2020
Development of a Force Field for the Simulation of Single-Chain Proteins and Protein-Protein ComplexesStefano Piana, Paul Robustelli, Dazhi Tan, et al.
The Journal of Physical Chemistry. B|October 3, 2018
Atomic-Level Description of Protein Folding inside the GroEL CavityStefano Piana, David E Shaw
Proceedings of the National Academy of Sciences of the United States of America|March 19, 2013
Atomic-level description of ubiquitin foldingStefano Piana, Kresten Lindorff-Larsen, David E Shaw
Current Opinion in Structural Biology|January 28, 2014
Assessing the accuracy of physical models used in protein-folding simulations: quantitative evidence from long molecular dynamics simulationsStefano Piana, John L Klepeis, David E Shaw
The Journal of Physical Chemistry. B|July 26, 2013
Atomistic description of the folding of a dimeric proteinStefano Piana, Kresten Lindorff-Larsen, David E Shaw
Proceedings of the National Academy of Sciences of the United States of America|July 24, 2012
Protein folding kinetics and thermodynamics from atomistic simulationStefano Piana, Kresten Lindorff-Larsen, David E Shaw
Biophysical Journal|May 5, 2011
How robust are protein folding simulations with respect to force field parameterization?Stefano Piana, Kresten Lindorff-Larsen, David E Shaw
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