Huang, Yandong <br/><br/>
Predicting Catalytic Proton Donors and Nucleophiles in Enzymes: How Adding Dynamics Helps Elucidate the Structure-Function Relationships.  [electronic resource] 

 -  The journal of physical chemistry letters  Mar 2018 
 - 1179-1184 p.  digital 
<br/><br/> Publication Type: Journal Article 
<br/><br/><label>ISSN: </label>1948-7185 
<br/><br/><label>Standard No.: </label>10.1021/acs.jpclett.8b00238  doi 
<br/><br/><label>Subjects--Topical Terms: </label><br/>Biocatalysis<br/>Catalytic Domain<br/>Enzymes--chemistry<br/>Hydrogen Bonding<br/>Hydrogen-Ion Concentration<br/>Molecular Dynamics Simulation<br/>Protons<br/>Structure-Activity Relationship