Allec, Sarah I <br/><br/>
Heterogeneous CPU+GPU-Enabled Simulations for DFTB Molecular Dynamics of Large Chemical and Biological Systems.  [electronic resource] 

 -  Journal of chemical theory and computation  May 2019 
 - 2807-2815 p.  digital 
<br/><br/> Publication Type: Journal Article 
<br/><br/><label>ISSN: </label>1549-9626 
<br/><br/><label>Standard No.: </label>10.1021/acs.jctc.8b01239  doi 
<br/><br/><label>Subjects--Topical Terms: </label><br/>Algorithms<br/>Computer Graphics<br/>HIV Protease--chemistry<br/>Molecular Dynamics Simulation