Oberseminar Numerische Mathematik / Scientific Computing
Tamar Schlick
Courant Institute, New York
Enhanced sampling methods for biomolecules: An overview.
Abstract:
The rugged energy landscape of biomolecules exacerbated by shortcomings of traditional molecular dynamics simulations require specialized methods for capturing large-scale, long time configurational changes along with chemical dynamics behavior. Many innovative methods for enhanced sampling have been developed in this goal, but successful applications to biomolecules remain a challenge. Broad classes of these methods will be reviewed, including applications to DNA polymerase mechanisms by transition path sampling and other dynamics approaches.
| Datum: | 09.02.2009 | Zeit: | 16:15 Uhr | Ort: | FU Berlin, Institut für Mathematik, Arnimallee 6, 14195 Berlin. | Raum: | 032 im Erdgeschoss |