Coarse-Grained (Multiscale) Simulations in Studies of Biophysical and Chemical Systems
✍ Scribed by Kamerlin, Shina C.L.; Vicatos, Spyridon; Dryga, Anatoly; Warshel, Arieh
- Book ID
- 118215472
- Publisher
- Annual Reviews
- Year
- 2011
- Tongue
- English
- Weight
- 977 KB
- Volume
- 62
- Category
- Article
- ISSN
- 0066-426X
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
## 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
## Abstract A recently developed coarse‐grain model is used to investigate nonlinear rheological properties of model core–shell systems. The influence of several model parameters on the stresses and shear rates is investigated. Continuous planar elongational flow and superposition rheology are stud