Spiwok, Vojtěch <br/><br/>
Conformational free energy modeling of druglike molecules by metadynamics in the WHIM space.  [electronic resource] 

 -  Journal of chemical information and modeling  Mar 2012 
 - 804-13 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/ci200623n  doi 
<br/><br/><label>Subjects--Topical Terms: </label><br/>Catalytic Domain<br/>Molecular Conformation<br/>Molecular Dynamics Simulation<br/>Pharmaceutical Preparations--chemistry<br/>Thermodynamics