title: FUS: a system to simulate conformational changes in biological macromolecules.
abstract: In order to study the dynamics of protein and nucleic acid conformations, a molecular folding-unfolding system (FUS written in Lisp) has been developed. Secondary structure features of protein and nucleic acids are graphically represented by cubes in a modified 'Blocks World' paradigm. Modeling of protein and nucleic acid unfolding (denaturation) and folding of their three-dimensional structure is possible by the use of high level 'block' operators which allow displacement of these structural features in space. Due to the flexible nature of this program, FUS is a useful tool for the rapid evaluation of user-defined rules governing conformational changes. The use of FUS to unfold three common proteins (prealbumin, flavodoxin and triose phosphate isomerase) and a tRNA is presented.
authors.affiliation: Département d'Informatique et Recherche Opérationnelle, Université de Montréal, Québec, Canada.
authors.forename: F
authors.initials: F
authors.lastname: Major
authors.forename: R
authors.initials: R
authors.lastname: Feldmann
authors.forename: G
authors.initials: G
authors.lastname: Lapalme
authors.forename: R
authors.initials: R
authors.lastname: Cedergren
mesh_terms: D003198:Computer Simulation; D005418:Flavodoxin; D008968:Molecular Conformation; D009690:Nucleic Acid Conformation; D011228:Prealbumin; D011487:Protein Conformation; D012360:RNA, Transfer, Phe; D012984:Software; D014305:Triose-Phosphate Isomerase
chemical_list: D005418:Flavodoxin; D011228:Prealbumin; D012360:RNA, Transfer, Phe; D014305:Triose-Phosphate Isomerase