Li, Aibo <br/><br/>
Discovery of novel covalent proteasome inhibitors through a combination of pharmacophore screening, covalent docking, and molecular dynamics simulations.  [electronic resource] 

 -  Journal of molecular modeling  Nov 2014 
 - 2515 p.  digital 
<br/><br/> Publication Type: Journal Article; Research Support, Non-U.S. Gov't 
<br/><br/><label>ISSN: </label>0948-5023 
<br/><br/><label>Standard No.: </label>10.1007/s00894-014-2515-y  doi 
<br/><br/><label>Subjects--Topical Terms: </label><br/>Animals<br/>Binding Sites<br/>Databases, Chemical<br/>Databases, Pharmaceutical<br/>Drug Discovery--methods<br/>Ligands<br/>Mice<br/>Molecular Docking Simulation<br/>Molecular Dynamics Simulation<br/>Molecular Structure<br/>Molecular Targeted Therapy<br/>Proteasome Endopeptidase Complex--chemistry<br/>Proteasome Inhibitors--chemistry<br/>Protein Binding<br/>Protein Conformation<br/>Structure-Activity Relationship