Catalytic Mechanism of Guanine Deaminase: An ONIOM and Molecular Dynamics Study
โ Scribed by Yao, Lishan; Cukier, Robert I.; Yan, Honggao
- Book ID
- 118273890
- Publisher
- American Chemical Society
- Year
- 2007
- Tongue
- English
- Weight
- 442 KB
- Volume
- 111
- Category
- Article
- ISSN
- 0022-3654
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
## Abstract We applied the ONIOMโmolecular dynamics (MD) method to cytosine deaminase to examine the environmental effects of the amino acid residues in the pocket of the active site on the substrate taking account of their thermal motion. The __ab initio__ ONIOMโMD simulations show that the substr
For the first time a consistent catalytic mechanism of phospholipase C from Bacillus cereus is reported based on molecular mechanics calculations. We have identified the position of the nucleophilic water molecule, which is directly involved in the hydrolysis of the natural substrate, phosphatidylch