Matthew MacManes, this is a reminder for
Overview of two physics-based methods for predicting proteins' tertiary structure and dynamics
Thu Feb 21 1:30pm – 2:30pm
(Pacific Time)
321 Stanley Hall (map)
Calendar: Bio Events
Speaker: Mey Khalili, Ph.D, University Chemical Laboratories, Cambridge, UK
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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