Kadukova, Maria <br/><br/>
Convex-PL: a novel knowledge-based potential for protein-ligand interactions deduced from structural databases using convex optimization.  [electronic resource] 

 -  Journal of computer-aided molecular design  Oct 2017 
 - 943-958 p.  digital 
<br/><br/> Publication Type: Journal Article 
<br/><br/><label>ISSN: </label>1573-4951 
<br/><br/><label>Standard No.: </label>10.1007/s10822-017-0068-8  doi 
<br/><br/><label>Subjects--Topical Terms: </label><br/>Algorithms<br/>Binding Sites<br/>Databases, Protein<br/>Drug Design<br/>Humans<br/>Knowledge Bases<br/>Ligands<br/>Machine Learning<br/>Molecular Docking Simulation<br/>Molecular Structure<br/>Protein Binding<br/>Protein Conformation<br/>Proteins--chemistry<br/>Structure-Activity Relationship