Liu, Zhaomin <br/><br/>
Elucidating Hyperconjugation from Electronegativity to Predict Drug Conformational Energy in a High Throughput Manner.  [electronic resource] 

 -  Journal of chemical information and modeling  04 2016 
 - 788-801 p.  digital 
<br/><br/> Publication Type: Journal Article; Research Support, Non-U.S. Gov't 
<br/><br/><label>ISSN: </label>1549-960X 
<br/><br/><label>Standard No.: </label>10.1021/acs.jcim.6b00012  doi 
<br/><br/><label>Subjects--Topical Terms: </label><br/>Drug Design<br/>Electrons<br/>Molecular Conformation<br/>Molecular Dynamics Simulation<br/>Pharmaceutical Preparations--chemistry<br/>Thermodynamics