Regensburg 2013 – wissenschaftliches Programm
Bereiche | Tage | Auswahl | Suche | Aktualisierungen | Downloads | Hilfe
BP: Fachverband Biologische Physik
BP 31: Statistical Physics in Biological Systems III (joint with DY)
BP 31.8: Vortrag
Donnerstag, 14. März 2013, 16:45–17:00, H46
Understanding evolutionary conserved contacts by structure based models. — •Abhinav Verma1, Benjamin Lutz1, Martin Weigt2, and Alexander Schug1 — 1Karlsruhe Institute of Technology, Karlsruhe, Germany — 2Université Pierre et Marie Curie, Paris, France
The evolution of a protein family leaves a fingerprint in databases of protein sequences. In a recent study, Direct Coupling Analysis (DCA) has been shown to accurately identify co-evolving residue pairs preserved as spatial contacts in their three dimensional fold [1]. Such DCA-derived contacts can be combined with molecular dynamics simulations to predict experimentally inaccessible transiently occupied active states [2]. Only a fraction of a contact map, however, is identified by DCA. Here we attempt to understand the evolutionary constraints leading to the conservation of these specific contacts by native structure based models [3]. We compare simulations with DCA derived contact maps to randomly chosen subsets of contacts.[unpublished data]
[1] Marcos et. al. , PNAS, 2011, 108, E1293
[2] Dago et. al. , PNAS, 2012, 109, E1733
[3] Whitford et al. Proteins, 2009 75, 430