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A Molecular Mechanics Knowledge Base Applied to Template Based Structure Prediction
(2011-02-22)
Predicting protein structure using its primary sequence has always been a
challenging topic in biochemistry. Although it seems as simple as finding the minimal
energy conformation, it has been quite difficult to provide ...
An Atomistic Study of the Mechanical Behavior of Carbon Nanotubes and Nanocomposite Interfaces
(2011-02-22)
The research presented in this dissertation pertains to the evaluation of stiffness of carbon nanotubes (CNTs) in a multiscale framework and modeling of the interfacial mechanical behavior in CNT-polymer nanocomposites. ...