Cassian D'Cunha

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The Center for Internet Augmented Research and Assessment (CIARA) NSF CI-TEAM demonstration project "CyberBridges" is a new model for creating a new generation of scientists and engineers who are capable of fully integrating Grid into the whole educational, professional, and creative process of their respective disciplines. CyberBridges augments graduate(More)
Correlation times for rotation of deuterated methyls in crystalline leucine, valine, and cyclo-L-alanyl-L-alanine are calculated with molecular dynamics and compared with NMR data. The simulations distinguish between methyls having different steric environments in the crystal, yielding correlation times differing by a factor of up to 30 for methyls within a(More)
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