Usefulness and Limitations of Normal Mode Analysis in Modeling Dynamics of Biomolecular Complexes
โ Scribed by Jianpeng Ma
- Book ID
- 113918414
- Publisher
- Elsevier Science
- Year
- 2005
- Tongue
- English
- Weight
- 338 KB
- Volume
- 13
- Category
- Article
- ISSN
- 0969-2126
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๐ SIMILAR VOLUMES
Normal mode analysis of subtilisin-eglin c complex was performed to investigate the dynamics at the interface between the enzyme and the inhibitor. The internal motions of the complex calculated from the normal modes were divided into three parts: the internal motions changing the shape of each mole
## Abstract A comparison is made between a 200โps molecular dynamics simulation in vacuum and a normal mode analysis on the protein bovine pancreatic trypsin inhibitor (BPTI) in order to elucidate the dual aspects of harmonicity and anharmonicity in the dynamics of proteins. The molecular dynamics