Probing molecular free energy landscapes by periodic loading.
Single molecule pulling experiments provide information about interactions in biomolecules that cannot be obtained by any other method. However, the reconstruction of the molecule's free energy profile from the experimental data is still a challenge, in particular, for the unstable barrier regions. We propose a new method for obtaining the full profile by introducing a periodic ramp and using Jarzynski's relation for obtaining equilibrium quantities from nonequilibrium data. Our simulated experiments show that this method delivers significant more accurate data than previous methods, under the constraint of equal experimental effort.
Braun
Oliver
O
Institut für Theoretische Physik, Universität Stuttgart, 70550 Stuttgart, Germany.
Hanke
Andreas
A
Seifert
Udo
U
D001436:Bacteriorhodopsins / Q000737:chemistry; D001704:Biopolymers / Q000737:chemistry*; D064211:Connectin; D004247:DNA / Q000737:chemistry; D008954:Models, Biological; D008956:Models, Chemical; D008968:Molecular Conformation; D009124:Muscle Proteins / Q000737:chemistry; D011134:Polysaccharides / Q000737:chemistry; D017510:Protein Folding; D011494:Protein Kinases / Q000737:chemistry; D012313:RNA / Q000737:chemistry; D013816:Thermodynamics
D001704:Biopolymers; D064211:Connectin; D009124:Muscle Proteins; D011134:Polysaccharides; D001436:Bacteriorhodopsins; D012313:RNA; D004247:DNA; D011494:Protein Kinases