Computer simulation of the conformational behavior of cholecystokinin fragments: conformational families of sulfated CCK8.
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.
Kreissler
M
M
Laboratoire de Physicochimie Théorique, U.A. CNRS 503, Talence, France.
Pesquer
M
M
Maigret
B
B
Fournié-Zaluski
M C
MC
Roques
B P
BP
D003198:Computer Simulation; D011487:Protein Conformation; D012844:Sincalide; D013431:Sulfates
D013431:Sulfates; D012844:Sincalide