Coarse-grained simulations of biological polymers and related processes
β Scribed by R.P. Linna; V.V. Lehtola; K. Kaski
- Book ID
- 104078883
- Publisher
- Elsevier
- Year
- 2010
- Tongue
- English
- Weight
- 400 KB
- Volume
- 6
- Category
- Article
- ISSN
- 1875-3892
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
The paper introduces a systematic procedure to coarse grain atomistic polymer models into a mesoscopic model, which then allows an effective and fast simulation of melts. The method, which provides information on both static and dynamic properties, is tested for three different modifications of poly
A coarse-grained dynamic Monte Carlo (MC) simulation method is used to investigate the conformational dynamics of chymotrypsin inhibitor 2 (CI2). Each residue is represented therein by two interaction sites, one at the β£-carbon and the other on the amino acid side-chain. The energy and geometry para
A coarse-grained dynamic Monte Carlo method is proposed for investigating the conformational dynamics of proteins. Each residue is represented by two interaction sites, one at the β£-carbon, and the other on the amino acid sidechain. Geometry and energy parameters extracted from databank structures a