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Title: Nonequilibrium and generalized-ensemble molecular dynamics simulations for amyloid fibril

Amyloids are insoluble and misfolded fibrous protein aggregates and associated with more than 20 serious human diseases. We perform all-atom molecular dynamics simulations of amyloid fibril assembly and disassembly.
Authors:
 [1] ;  [2]
  1. Research Center for Computational Science, Institute for Molecular Science, Okazaki, Aichi 444-8585 (Japan)
  2. (Japan)
Publication Date:
OSTI Identifier:
22499150
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; Journal Volume: 1702; Journal Issue: 1; Conference: ICCMSE 2015: International conference of computational methods in sciences and engineering 2015, Athens (Greece), 20-23 Mar 2015; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; ATOMS; DISEASES; MOLECULAR DYNAMICS METHOD; PROTEINS; SIMULATION