I am a Reseaech Scientist & Computer Center manager at the Sealy Center for Structural Biology , the University of Texas Medical Branch at Galveston, Texas. The Computer Center Director is Prof. Werner A. Braun. The Center has a 4-CPU CRAY J-90 Supercomputer, 3 Indigo2 R1000 IMPACT, 2 R1000 SGI O2 workstations and some PowerPC Apple computers.
I am currently developing and improving Self-Correcting Distance Geometry method (NOAH/DIAMOD program suit) for automated 2 or 3D NMR NOESY spectrum assignment and 3D structural calculations. The program suits have been extensivily tested on both simulated and real NOESY spectra with known protein structures and in colaboration with NMR Center it has recently been used sucessfuly for determining 3D structure of Crambin(22Ser/25Ile) , a 46 residue protein for which the X-ray and NMR structures were not known.
We have also determined the structure of scorpion neurotoxin via NOAH/DIAMOD Neurotoxin(CsE-V5), (a 60 residue protein) in coliboration with NMR Center at UAB