Yao, Jianzhuang <br/><br/>
Understanding the Catalytic Mechanism and the Substrate Specificity of an Engineered Gluten Hydrolase by QM/MM Molecular Dynamics and Free Energy Simulations.  [electronic resource] 

 -  Journal of chemical information and modeling  05 2017 
 - 1179-1186 p.  digital 
<br/><br/> Publication Type: Journal Article; Research Support, Non-U.S. Gov't 
<br/><br/><label>ISSN: </label>1549-960X 
<br/><br/><label>Standard No.: </label>10.1021/acs.jcim.7b00167  doi 
<br/><br/><label>Subjects--Topical Terms: </label><br/>Acylation<br/>Binding Sites<br/>Catalysis<br/>Catalytic Domain<br/>Celiac Disease--enzymology<br/>Glutens--metabolism<br/>Hydrolases--chemistry<br/>Molecular Dynamics Simulation<br/>Quantum Theory<br/>Substrate Specificity<br/>Thermodynamics