𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Hybrid Simulations: Atomistic Peptides in Coarse Grained Solvent

✍ Scribed by Rzepiela, Andrzej J.; Louhivuori, Martti; Marrink, Siewert Jan

Book ID
122141697
Publisher
Biophysical Society
Year
2010
Tongue
English
Weight
51 KB
Volume
98
Category
Article
ISSN
0006-3495

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

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 πŸ“‚ Article πŸ“… 2012 πŸ› John Wiley and Sons 🌐 English βš– 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