Our Time-Resolved Work as Described

in The Scientist

Our Photocrystallography Work as Described

in Biophotonics 

Below: Bonding effects on the charge density in a protein molecule constructed from the University at Buffalo Databank (UBDB) of transferable atoms:  Left: the deformation density in the polypeptide bond between Gly210 and Phe211 in the syntenin PDZ2 domain. Right: the imidazole ring of His208 with ND1 nitrogen protonated. Contour levels at 0.05 e/ų; positive contours, blue, negative contours, red, and zero contour, black.  From: Paulina Dominiak, Anatoliy Volkov, Xue Li, Marc Messerschmidt, and Philip Coppens,  Journal of Chemical Theory and Computation, 2006.