Speaker: Mey Khalili, Ph.D, University Chemical Laboratories, Cambridge, UK
Time: 1:30-2:30pm, Friday, December 21st, 2007
Place: 321 Stanley Hall
Abstract:
According to Anfinsen's thermodynamic hypothesis, the native structure of a
protein in its physiological environment is the one with the lowest free
energy. Exploiting this hypothesis, two physics-based methods are presented
that find the native structure, the folding, and activation pathways for
proteins. One method uses the all-atom, physics-based CHARMM19 polar hydrogen
force-field, while the other uses the coarse-grained, physics-based, UNRES
potential. Performance of UNRES in consecutive CASP competitions is discussed,
as well as the strengths and weaknesses of both methods.
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