title: Adjustable chain trees for proteins.
abstract: A chain tree is a data structure for changing protein conformations. It enables very fast detection of clashes and free energy potential calculations. A modified version of chain trees that adjust themselves to the changing conformations of folding proteins is introduced. This results in much tighter bounding volume hierarchies and therefore fewer intersection checks. Computational results indicate that the efficiency of the adjustable chain trees is significantly improved compared to the traditional chain trees.
authors.affiliation: Department of Computer Science, University of Copenhagen, Copenhagen, Denmark. pawel@diku.dk
authors.forename: Pawel
authors.initials: P
authors.lastname: Winter
authors.forename: Rasmus
authors.initials: R
authors.lastname: Fonseca
mesh_terms: D019295:Computational Biology / Q000379:methods; D003198:Computer Simulation; D008958:Models, Molecular; D011487:Protein Conformation; D017510:Protein Folding; D011506:Proteins / Q000737:chemistry* / Q000145:classification*
chemical_list: D011506:Proteins