3D Structures & Tool DevelopmentLee G. Pedersen, Ph.D.
Principal Investigator Tel (919) 541-4630 Fax (919) 541-0779 pederse3@niehs.nih.gov P.O. Box 12233 Mail Drop F0-08 Research Triangle Park, North Carolina 27709 Delivery Instructions Research SummaryThe Computational Chemistry & Molecular Modeling Group serves two major roles:
Three-dimensional structures are currently being generated at an exponential rate from experimental laboratories that focus on structure determination—X-ray, electron crystallography and NMR spectroscopy. Likewise, one-dimensional sequences of proteins and nucleic acids are appearing, also at an exponential rate. The appearance of sequences, however, is at a faster rate. The task, then, is to use the smaller data base (3D) to estimate 3D structures for molecules in the larger data base (1D). Major areas of research:
Current projects:
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