Berlin 2012 – scientific programme

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BP: Fachverband Biologische Physik

BP 15: Proteins II

BP 15.8: Talk

Wednesday, March 28, 2012, 17:00–17:15, H 1058

Correlates between Biophysical Dynamics and Sequence Evolution of Proteins — •Kay Hamacher — TU Darmstadt, 64287 Darmstadt, Germany

The evolution of proteins is shaped by two major evolutionary operators: mutation and selection. While entropy concepts from information theory reveal important patterns in the sequence space, the selective advantage of changes reveal themselves in the molecular phenotype. Therefore, to understand protein evolution in more detail, one needs to correlate the results of a sequence analysis with those from biophysical simulations of the expressed proteins. In this talk I will discuss several algorithmic improvements [1-3] and their applications to important proteins in medicinal physics/chemistry, namely the HIV1-protease and the acetylcholinesterase [4-6].

[1] K. Hamacher. Phys. Rev. E 84:016703, 2011

[2] K. Hamacher. J. Comp. Phys. 229:7309-7316, 2010

[3] M. Waechter, K. Hamacher, F. Hoffgaard, S. Widmer, M. Goesele. 9th Int. Conf. on Parallel Processing & Appl.Mathematics, 2011

[4] P. Boba, P. Weil, F. Hoffgaard, K. Hamacher. Springer Communications in Computer & Information Science 127:356-366, 2011

[5] S. Weißgraeber, F. Hoffgaard, K. Hamacher. Proteins 79(11):3144-3154, 2011

[6] K. Hamacher. Gene 422:30-36, 2008