Cooper, April M <br/><br/>
Averaging techniques for reaction barriers in QM/MM simulations.  [electronic resource] 

 -  Chemphyschem : a European journal of chemical physics and physical chemistry  Oct 2014 
 - 3264-9 p.  digital 
<br/><br/> Publication Type: Journal Article; Research Support, Non-U.S. Gov't 
<br/><br/><label>ISSN: </label>1439-7641 
<br/><br/><label>Standard No.: </label>10.1002/cphc.201402382  doi 
<br/><br/><label>Subjects--Topical Terms: </label><br/>Isomerism<br/>Molecular Dynamics Simulation<br/>Prolyl Hydroxylases--chemistry<br/>Quantum Theory<br/>Thermodynamics