We have carried out molecular dynamics simulation of the N-terminal domain of the repressor protein in a surrounding environment including explicit waters and ions. We observe two apparent dynamics substates in the nanosecond protein simulation, the transition occurring around 500 ps. The existence
Molecular-dynamics simulation of the β domain of metallothionein with a semi-empirical treatment of the metal core
✍ Scribed by Christian D. Berweger; Walter Thiel; Wilfred F. van Gunsteren
- Publisher
- John Wiley and Sons
- Year
- 2000
- Tongue
- English
- Weight
- 596 KB
- Volume
- 41
- Category
- Article
- ISSN
- 0887-3585
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