Jayachandran, Guha <br/><br/>
Parallelized-over-parts computation of absolute binding free energy with docking and molecular dynamics.  [electronic resource] 

 -  The Journal of chemical physics  Aug 2006 
 - 084901 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>0021-9606 
<br/><br/><label>Standard No.: </label>10.1063/1.2221680  doi 
<br/><br/><label>Subjects--Topical Terms: </label><br/>Biophysics--methods<br/>Chemistry, Physical--methods<br/>Cluster Analysis<br/>Computer Simulation<br/>Humans<br/>Ligands<br/>Models, Chemical<br/>Models, Statistical<br/>Molecular Conformation<br/>Probability<br/>Protein Binding<br/>Proteins--chemistry<br/>Tacrolimus Binding Protein 1A--chemistry<br/>Thermodynamics