title: Coarse-grained models for protein folding and aggregation.
abstract: Coarse-grained models for protein folding and aggregation are used to explore large dimension scales and timescales that are inaccessible to all-atom models in explicit aqueous solution. Combined with enhanced configuration search methods, these simplified models with various levels of granularity offer the possibility to determine equilibrium structures, compare folding kinetics and thermodynamics with experiments for single proteins and understand the dynamic assembly of amyloid proteins leading to neurodegenerative diseases. I shall describe recent progress in developing such models, and discuss their potentials and limitations in probing the folding and misfolding of proteins with computer simulations.
authors.affiliation: Laboratory of Theoretical Biochemistry, Paris 7 University, Paris, France. philippe.derreumaux@ibpc.fr
authors.forename: Philippe
authors.initials: P
authors.lastname: Derreumaux
mesh_terms: D000682:Amyloid / Q000737:chemistry; D008958:Models, Molecular; D017510:Protein Folding; D055503:Protein Multimerization; D017433:Protein Structure, Secondary
chemical_list: D000682:Amyloid