Lu, Xiya <br/><br/>
Parametrization of DFTB3/3OB for magnesium and zinc for chemical and biological applications.  [electronic resource] 

 -  The journal of physical chemistry. B  Jan 2015 
 - 1062-82 p.  digital 
<br/><br/> Publication Type: Journal Article; Research Support, N.I.H., Extramural; Research Support, U.S. Gov't, Non-P.H.S. 
<br/><br/><label>ISSN: </label>1520-5207 
<br/><br/><label>Standard No.: </label>10.1021/jp506557r  doi 
<br/><br/><label>Subjects--Topical Terms: </label><br/>Alkaline Phosphatase--chemistry<br/>Catalytic Domain<br/>Magnesium--chemistry<br/>Models, Molecular<br/>Myosin Type II--chemistry<br/>Protons<br/>Quantum Theory<br/>Solvents--chemistry<br/>Zinc--chemistry