Murce, Erika <br/><br/>
Structure-based de novo design, molecular docking and molecular dynamics of primaquine analogues acting as quinone reductase II inhibitors.  [electronic resource] 

 -  Journal of molecular graphics & modelling  Nov 2015 
 - 235-244 p.  digital 
<br/><br/> Publication Type: Journal Article; Research Support, Non-U.S. Gov't 
<br/><br/><label>ISSN: </label>1873-4243 
<br/><br/><label>Standard No.: </label>10.1016/j.jmgm.2015.10.001  doi 
<br/><br/><label>Subjects--Topical Terms: </label><br/>Catalytic Domain<br/>Enzyme Inhibitors--chemistry<br/>Humans<br/>Hydrogen Bonding<br/>Molecular Docking Simulation<br/>Molecular Dynamics Simulation<br/>Primaquine--analogs & derivatives<br/>Protein Binding<br/>Protein Structure, Secondary<br/>Quinone Reductases--antagonists & inhibitors<br/>Thermodynamics