| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 6877708 | Journal of Molecular Graphics and Modelling | 2014 | 38 Pages |
Abstract
- Acylation stages of MEC and ACh hydrolysis by CALB are modeled.
- Activation free energies are computed by DFT studies.
- New application for CALB is purposed.
- Stabilizing role of oxyanion hole is examined by AIM and NBO tools.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Mohammad Sadegh Sadeghi Googheri, Mohammad Reza Housaindokht, Hassan Sabzyan,