Mehmood, Rimsha <br/><br/>
Both Configuration and QM Region Size Matter: Zinc Stability in QM/MM Models of DNA Methyltransferase.  [electronic resource] 

 -  Journal of chemical theory and computation  May 2020 
 - 3121-3134 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.0c00153  doi 
<br/><br/><label>Subjects--Topical Terms: </label><br/>DNA (Cytosine-5-)-Methyltransferase 1--chemistry<br/>Density Functional Theory<br/>Humans<br/>Molecular Dynamics Simulation<br/>Zinc--chemistry