Campus Event Calendar
Event Entry
What and Who
Molecular Docking Including Backbone Flexibility
Matthias Dietzen
Max-Planck-Institut für Informatik - D3
Ringvorlesung
AG 1, AG 2, AG 3, AG 4, AG 5, SWS, RG1, MMCI
AG Audience
English
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Date, Time and Location
Thursday, 12 February 2009
13:00
60 Minutes
E1 3 - Hörsaal Gebäude
0.16
Saarbrücken
Abstract
Molecular docking with protein backbone flexibility is one of the hardest problems in the area of Computational Biology. Due to the complex and various interactions within the protein and with the ligand, simplifications are needed to compute the final docking complex in a time-efficient manner. The Anisotropic Network Model (ANM) has proven to be an effective tool to determine the most significant protein backbone motions that are relevant for docking. By comparing to a recently published approach, we present our own ideas towards an ANM docking method that resembles molecular dynamics simulations to model the process of backbone rearrangement upon ligand binding.
Contact
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Jennifer Gerling, 02/09/2009 11:05 -- Created document.