A kMC-MD method with generalized move-sets for the simulation of folding of α-helical and β-stranded peptides
Author:
Affiliation:
1. Faculty of Informatics, Institute of Computational Science, University of Lugano, Lugano, Switzerland
2. Department of Chemistry and Biochemistry, and Department of Physics, University of California, Santa Barbara, California 93106, USA
Funder
National Science Foundation (NSF)
David and Lucile Packard Foundation
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4915919
Reference75 articles.
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4. Building Markov state models along pathways to determine free energies and rates of transitions
5. Extending the Time Scale in Atomistic Simulation of Materials
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