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: