Kumar, Sivakumar Prasanth <br/><br/>
Molecular dynamics-assisted pharmacophore modeling of caspase-3-isatin sulfonamide complex: Recognizing essential intermolecular contacts and features of sulfonamide inhibitor class for caspase-3 binding.  [electronic resource] 

 -  Computational biology and chemistry  Dec 2017 
 - 117-128 p.  digital 
<br/><br/> Publication Type: Journal Article 
<br/><br/><label>ISSN: </label>1476-928X 
<br/><br/><label>Standard No.: </label>10.1016/j.compbiolchem.2017.08.006  doi 
<br/><br/><label>Subjects--Topical Terms: </label><br/>Binding Sites--drug effects<br/>Caspase 3--chemistry<br/>Cysteine Proteinase Inhibitors--chemistry<br/>Humans<br/>Isatin--chemistry<br/>Molecular Dynamics Simulation<br/>Molecular Structure<br/>Structure-Activity Relationship<br/>Sulfonamides--chemistry