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IAS Seminar: Predictions of a systematically coarse grained model for DNA

begin
10.Sep.2012 14:00
end
10.Sep.2012 15:00
venue
Jülich Supercomputing Centre, Hörsaal, building 16.3, room 006
Speaker:
Prof. Jörg Rottler, University of British Columbia, Vancouver, Canada
Contents:
We introduce a bead-spring model for DNA with bases modeled as rigid-body ellipsoids to capture their anisotropic stereochemistry. Interaction potentials are all physicochemical and generated from all-atom simulations/force fields with minimal phenomenology. Persistence length, degree of base stacking, and twist are studied by molecular dynamics simulations as function of temperature, salt concentration, sequence and interaction potential strength. The model also exhibits chirality with a table right-handed and metastable left-handed helix.
Date:
Monday, 10 September 2012, 14:00
Venue:
Jülich Supercomputing Centre, Hörsaal, building 16.3, room 006
Announcement as pdf:
 IAS Seminar: Predictions of a systematically coarse grained model for DNA (PDF, 28 kB)

Anyone interested is cordially invited to participate in this seminar.


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