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Daniel Carlsson
Biochemistry and Biophysics
Göteborg University
Lundberg Laboratory
SE 405 30 Göteborg
Sweden
PhD Project
Computer-assisted interpretation of NMR spectra
The goal is to obtain a functional tool that provides strong computer
support for the processing of raw NMR data. For new molecular systems,
but in particular also for molecules that are homologous to already
known systems, the structure determination starting from the NMR
spectra shall be fully automatic. Examples of homologous systems may be
proteins available in many forms such as with different mutations or
the protein bound to different ligands. This analysis tool should allow
for efficient structural screening by NMR of clinically interesting
compounds ("lead" molecules) in pharmaceutical industry.