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Elastic deformation and failure in protein filament bundles: Atomistic simulations and coarse-grained modeling

✍ Scribed by Nathan A. Hammond; Roger D. Kamm

Book ID
108069896
Publisher
Elsevier Science
Year
2008
Tongue
English
Weight
720 KB
Volume
29
Category
Article
ISSN
0142-9612

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Multiscale simulation of small peptides:
Multiscale simulation of small peptides: Consistent conformational sampling in atomistic and coarse-grained models
✍ Olga Bezkorovaynaya; Alexander Lukyanov; Kurt Kremer; Christine Peter 📂 Article 📅 2012 🏛 John Wiley and Sons 🌐 English ⚖ 451 KB

## Abstract A bottom–up coarse‐graining procedure for peptides in aqueous solution is presented, where the interactions in the coarse‐grained (CG) model are determined such that the CG peptide samples conformations according to a high‐resolution (atomistic) model. It is shown that important aspects