27 February 2012 to 23 March 2012
Nordita
Europe/Stockholm timezone

Coarse-grained models for proteins I

28 Feb 2012, 13:00
2h
132:028 (Nordita)

132:028

Nordita

Speaker

Prof. Adam Liwo (University of Gdansk)

Description

1. Purpose and overview of history and applications of coarse-grained force fields for proteins. 2. Representation of polypeptide chains in coarse-grained force fields. 3. Connection between statistical mechanics and coarse-grained force field 4. Types of potentials (physics-based, statistical, structure-based, engineered, elastic network). 5. Coarse-grained force fields from potentials of mean force: emergence and role of multibody terms. 6. Equations of motion with coarse-grained force field and algorithms for their solving. 7. Generalized-ensemble sampling with coarse-grained force field. 8. Examples (UNRES, CABS, MARTINI).

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