Projects per year
Molecular modelling and simulation methods are increasingly at the forefront of elucidating mechanisms of enzyme-catalysed reactions, and shedding light on the determinants of specificity and efficiency of catalysis. These methods have the potential to assist in drug discovery and the design of novel protein catalysts. This Tutorial Review highlights some of the most widely used modelling methods and some successful applications. Modelling protocols commonly applied in studying enzyme-catalysed reactions are outlined here, and some practical implications are considered, with cytochrome P450 enzymes used as a specific example.
|Number of pages||14|
|Journal||Chemical Society Reviews|
|Publication status||Published - 21 Apr 2012|
- Cytochrome P-450 Enzyme System
- Models, Molecular
- Quantum Theory
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- 2 Finished
CCP-BioSim: Biomolecular simulation at the life sciences interface
1/10/11 → 1/10/15
COMPUTATIONAL BIOCHEMISTRY: PREDICTIVE MODELLING FOR BIOLOGY AND MEDICINE
1/10/08 → 1/04/14