Efficient Traversal of Beta-Sheet Protein Folding Pathways Using Ensemble Models

Efficient Traversal of Beta-Sheet Protein Folding Pathways Using Ensemble Models

Molecular dynamics (MD) simulations can now predict ms-timescale folding processes of small proteins; however, this presently requires hundreds of thousands of CPU hours and is primarily applicable to short peptides with few long-range interactions. Larger and slower-folding proteins, such as many w...

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Bibliographic Details
Main Authors: Waldispühl, Jerome, Berger, Bonnie, Devadas, Srinivas, O'Donnell, Charles William, Shenker, Solomon
Other Authors: Massachusetts Institute of Technology. Computer Science and Artificial Intelligence Laboratory
Format: Article
Language:en_US
Published: Mary Ann Liebert 2012
Online Access:http://hdl.handle.net/1721.1/69990
https://orcid.org/0000-0001-8253-7714
https://orcid.org/0000-0002-2724-7228

Internet

http://hdl.handle.net/1721.1/69990
https://orcid.org/0000-0001-8253-7714
https://orcid.org/0000-0002-2724-7228

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