Yu, Miao <br/><br/>
Discovering new PI3Kα inhibitors with a strategy of combining ligand-based and structure-based virtual screening.  [electronic resource] 

 -  Journal of computer-aided molecular design  02 2018 
 - 347-361 p.  digital 
<br/><br/> Publication Type: Journal Article; Research Support, Non-U.S. Gov't 
<br/><br/><label>ISSN: </label>1573-4951 
<br/><br/><label>Standard No.: </label>10.1007/s10822-017-0092-8  doi 
<br/><br/><label>Subjects--Topical Terms: </label><br/>Amino Acid Sequence<br/>Amino Acids--chemistry<br/>Bayes Theorem<br/>Drug Discovery--methods<br/>Ligands<br/>Machine Learning<br/>Molecular Dynamics Simulation<br/>Molecular Structure<br/>Phosphoinositide-3 Kinase Inhibitors<br/>Protein Binding<br/>Protein Kinase Inhibitors--chemistry<br/>Quantitative Structure-Activity Relationship<br/>Software<br/>Thermodynamics