title: Molecular dynamics study on an adipokinetic hormone peptide in aqueous solution.
abstract: Lom-AKH-I is a member of the adipokinetic hormone/red pigment concentrating hormone (AKH/RPCH) family of peptides found in flying insects. A molecular dynamics simulation at room temperature (293 K) in water has been performed to survey the folding path of the Lom-AKH-I peptide in water and to establish the secondary structure of Lom-AKH-I. The obtained results indicate the presence of an undefined extended conformation.
authors.affiliation: Department of Anesthesiology/CCM, University of Pittsburgh, PA 15261, USA. izubrzycki@hotmail.com
authors.forename: I Z
authors.initials: IZ
authors.lastname: Zubrzycki
mesh_terms: D003198:Computer Simulation; D007301:Insect Hormones / Q000737:chemistry*; D007700:Kinetics; D008958:Models, Molecular; D009479:Neuropeptides / Q000737:chemistry; D009842:Oligopeptides / Q000737:chemistry*; D011487:Protein Conformation; D011761:Pyrrolidonecarboxylic Acid / Q000031:analogs & derivatives; D012984:Software; D012996:Solutions; D013816:Thermodynamics; D014867:Water
chemical_list: D007301:Insect Hormones; D009479:Neuropeptides; D009842:Oligopeptides; D012996:Solutions; C044833:adipokinetic hormone; D014867:Water; D011761:Pyrrolidonecarboxylic Acid