Chung, Jae Yoon <br/><br/>
In silico binding free energy predictability with π-π interaction energy-augmented scoring function: benzimidazole Raf inhibitors as a case study.  [electronic resource] 

 -  Bioorganic & medicinal chemistry letters  May 2012 
 - 3278-83 p.  digital 
<br/><br/> Publication Type: Journal Article; Research Support, Non-U.S. Gov't 
<br/><br/><label>ISSN: </label>1464-3405 
<br/><br/><label>Standard No.: </label>10.1016/j.bmcl.2012.03.017  doi 
<br/><br/><label>Subjects--Topical Terms: </label><br/>Benzimidazoles--chemistry<br/>Computer Simulation<br/>Drug Discovery--methods<br/>Electrons<br/>Ligands<br/>Models, Molecular<br/>Protein Binding<br/>Protein Interaction Domains and Motifs<br/>Protein Kinase Inhibitors--chemistry<br/>Structure-Activity Relationship<br/>Thermodynamics<br/>raf Kinases--antagonists & inhibitors