Events

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Since the early work of Pauling and Corey, the paradigm for thinking about and modeling protein backbone geometry has been that of a single ideal set of bond lengths and angles for the peptide unit. Based on the crystallographically determined structures of proteins, I published work in the mid-90s showing that there is strong evidence for systematic variations in bond angles as a function of the conformational differences only involving rotations around single bonds. We are now surveying protein structures determined at <1 � resolution to better characterize the systematic variations.

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In this presentation I will report a strongly interacting new dendrimer system with an extended spectroscopic unit (coherent domain) beyond the trimer configuration. Strong cooperative enhancement of - two photon absorption cross-section was observed when going from the trimer arrangement to the next generation.

1. Density-functional study of the BaBi(Q)TiO_3 perovskite solid solution
   Using density-functional theory we predict properties of the solid solution perovskites BaBi(Q)TiO_3 where Q is Mg, Ni or Zn. These properties are strongly affected by the presence of both A-site and B-site disorder. We study all distinct orderings within a given 2x2x2 supercell.
2. Electrostatic signatures of single protein dynamics for detection with carbon nanotube sensors
   

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