Pan, Albert C <br/><br/>
Quantitative Characterization of the Binding and Unbinding of Millimolar Drug Fragments with Molecular Dynamics Simulations.  [electronic resource] 

 -  Journal of chemical theory and computation  Jul 2017 
 - 3372-3377 p.  digital 
<br/><br/> Publication Type: Journal Article 
<br/><br/><label>ISSN: </label>1549-9626 
<br/><br/><label>Standard No.: </label>10.1021/acs.jctc.7b00172  doi 
<br/><br/><label>Subjects--Topical Terms: </label><br/>Binding Sites<br/>Crystallography, X-Ray<br/>Molecular Dynamics Simulation<br/>Pharmaceutical Preparations--chemistry<br/>Protein Binding<br/>Sirolimus--chemistry<br/>Tacrolimus--chemistry<br/>Tacrolimus Binding Proteins--chemistry<br/>Thermodynamics