Villemot, François <br/><br/>
Balancing Accuracy and Cost of Confinement Simulations by Interpolation and Extrapolation of Confinement Energies.  [electronic resource] 

 -  Journal of chemical theory and computation  Jun 2016 
 - 2779-89 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.5b01183  doi 
<br/><br/><label>Subjects--Topical Terms: </label><br/>Alanine--chemistry<br/>Lactoferrin--chemistry<br/>Models, Molecular<br/>Peptides--chemistry<br/>Protein Structure, Tertiary<br/>Thermodynamics