title: Computer simulation of the conformational behavior of cholecystokinin fragments: conformational families of sulfated CCK8.
abstract: Display methods, such as principal component analysis, and clustering methods were applied to a sample of cholecystokinin, (sulfated CCK8) conformations obtained from a Monte Carlo simulation. It is shown that six families of conformations can entirely describe the sample. Each family represents a typical conformer. These theoretical models are in agreement with recent experimental results which stress the predominance of folded conformers in aqueous medium.
authors.affiliation: Laboratoire de Physicochimie Théorique, U.A. CNRS 503, Talence, France.
authors.forename: M
authors.initials: M
authors.lastname: Kreissler
authors.forename: M
authors.initials: M
authors.lastname: Pesquer
authors.forename: B
authors.initials: B
authors.lastname: Maigret
authors.forename: M C
authors.initials: MC
authors.lastname: Fournié-Zaluski
authors.forename: B P
authors.initials: BP
authors.lastname: Roques
mesh_terms: D003198:Computer Simulation; D011487:Protein Conformation; D012844:Sincalide; D013431:Sulfates
chemical_list: D013431:Sulfates; D012844:Sincalide