Shaikh, Abdul Rajjak <br/><br/>
Oxidation mechanism in the metabolism of (S)-N-[1-(3-morpholin-4-ylphenyl)ethyl]-3-phenylacrylamide on oxyferryl active site in CYP3A4 Cytochrome: DFT modeling.  [electronic resource] 

 -  Journal of molecular modeling  Jul 2007 
 - 851-60 p.  digital 
<br/><br/> Publication Type: Journal Article; Research Support, Non-U.S. Gov't 
<br/><br/><label>ISSN: </label>0948-5023 
<br/><br/><label>Standard No.: </label>10.1007/s00894-007-0196-5  doi 
<br/><br/><label>Subjects--Topical Terms: </label><br/>Alcohols--chemical synthesis<br/>Algorithms<br/>Binding Sites<br/>Cinnamates--chemistry<br/>Computer Simulation<br/>Cytochrome P-450 CYP3A<br/>Cytochrome P-450 Enzyme System--chemistry<br/>Hydrogen--chemistry<br/>Hydrogen Bonding<br/>Hydrophobic and Hydrophilic Interactions<br/>Ketones--chemical synthesis<br/>Metabolic Networks and Pathways<br/>Models, Chemical<br/>Molecular Conformation<br/>Molecular Structure<br/>Morpholines--chemistry<br/>Nitrogen--chemistry<br/>Oxidation-Reduction<br/>Oxygen--chemistry<br/>Protons<br/>Quantum Theory<br/>Reproducibility of Results<br/>Static Electricity<br/>Substrate Specificity