Dresden 2009 – wissenschaftliches Programm
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BP: Fachverband Biologische Physik
BP 5: Proteins
BP 5.2: Vortrag
Montag, 23. März 2009, 14:45–15:00, ZEU 260
The Kinetics and Structure of Protein Energy Landscapes — Michael Prentiss1, •David Wales2, and Peter Wolynes1 — 1University of California, San Diego USA — 2Cambridge University, UK
The complexity of the physical interactions that guides the folding of biomolecules presents a significant challenge for atomistic modeling. Minimal representation protein structure prediction potentials have previously been used to predict protein structure from sequence. The resulting landscapes suggests the actual protein energy landscapes are funneled as predicted from theory. We show how basin-hopping global optimisation can identify low-lying minima for the corresponding mildly frustrated energy landscapes. Further more we calculate several disconnectivity graphs for the folding reaction a protein using a database of minima and transition states. Using these databases we calculate the diffusion of the polypeptide change as a function of an native contacts.