Gresh, Nohad <br/><br/>
Conformation-dependent intermolecular interaction energies of the triphosphate anion with divalent metal cations. Application to the ATP-binding site of a binuclear bacterial enzyme. A parallel quantum chemical and polarizable molecular mechanics investigation.  [electronic resource] 

 -  Journal of computational chemistry  Jan 2004 
 - 160-8 p.  digital 
<br/><br/> Publication Type: Journal Article; Research Support, Non-U.S. Gov't 
<br/><br/><label>ISSN: </label>0192-8651 
<br/><br/><label>Standard No.: </label>10.1002/jcc.10312  doi 
<br/><br/><label>Subjects--Topical Terms: </label><br/>Adenosine Triphosphate--chemistry<br/>Binding Sites<br/>Guanosine Triphosphate--chemistry<br/>Models, Molecular<br/>Molecular Conformation<br/>Protein Conformation<br/>Thermodynamics<br/>Thermolysin--chemistry<br/>beta-Lactamases--chemistry