ZENO Efficient Method for Characterizing Object Shape and for Calculating Transport Properties of Nanoparticles and Synthetic and Biological Macromolecule

Movie (will be available soon) Summary of Important Properties (Stevens Institute of Technology)
Protein Properties/Zeno: PDB ID : (will be available soon) contact: ekang1@stevens.edu
Acknowledgements: We thank CTCMS at NIST for funding support of this development 


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ZENO computation 

Computes the capacitance and polarizability of bodies by the "Zeno" algorithm, and then uses these to estimate transport properties. 

INTERIOR computation: 

Computes the volume and radius of gyration of the interior  by a Monte Carlo integration  by generating a set of points through the interior. 

SURFACE computation: 

Computes she surface area, the radius of gyration of the surface, and the Kirkwoodhydrodynamic radius (i.e., the hydrodynamic radius as evaluated by the Kirkwood double sum approximation)  by Monte Carlo integration  by generating surface points. 

PROJECTONTOALINE computation: 

Computes the Giddings length, L_{G}, which is expected to be predictor of the elution volume in size exclusion chromatography and also computes the mean projection onto a plane 

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Last updated: 8/04/06
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