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).
