Lu, Shao-Yong <br/><br/>
Role of bridging water molecules in GSK3β-inhibitor complexes: insights from QM/MM, MD, and molecular docking studies.  [electronic resource] 

 -  Journal of computational chemistry  Jul 2011 
 - 1907-18 p.  digital 
<br/><br/> Publication Type: Journal Article; Research Support, Non-U.S. Gov't 
<br/><br/><label>ISSN: </label>1096-987X 
<br/><br/><label>Standard No.: </label>10.1002/jcc.21775  doi 
<br/><br/><label>Subjects--Topical Terms: </label><br/>Computer Simulation<br/>Drug Design<br/>Glycogen Synthase Kinase 3--antagonists & inhibitors<br/>Glycogen Synthase Kinase 3 beta<br/>Humans<br/>Models, Molecular<br/>Protein Binding<br/>Protein Kinase Inhibitors--chemistry<br/>Quantum Theory<br/>Water--chemistry