Betz, Robin M <br/><br/>
How Effectively Can Adaptive Sampling Methods Capture Spontaneous Ligand Binding?  [electronic resource] 

 -  Journal of chemical theory and computation  Mar 2019 
 - 2053-2063 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.8b00913  doi 
<br/><br/><label>Subjects--Topical Terms: </label><br/>Adrenergic beta-2 Receptor Antagonists--chemistry<br/>Animals<br/>Benzamidines--chemistry<br/>Binding Sites<br/>Cattle<br/>Dihydroalprenolol--chemistry<br/>Humans<br/>Ligands<br/>Molecular Docking Simulation<br/>Molecular Dynamics Simulation<br/>Protein Binding<br/>Protein Conformation<br/>Proteins--chemistry<br/>Receptors, Adrenergic, beta-2--chemistry<br/>Thermodynamics<br/>Trypsin--chemistry<br/>Trypsin Inhibitors--chemistry