title: The influence of amino acid side chains on water binding to the copper(II) in bis(N,N-dimethyl-L-alpha-isoleucinato)-copper(II): an EPR and molecular mechanics study.
abstract: Simulations were done of the electron paramagnetic resonance (EPR) spectra for bis(N,N-dimethyl-L-alpha-isoleucinato)copper(II) dissolved in deuterated methanol as a function of temperature. They indicated different behaviour of the complex below and above 300 degrees K. The effect was examined by the conformational analysis of the copper(II) complex with a new molecular mechanics force field.
authors.affiliation: Institute for Medical Research and Occupational Health, P.O. Box 291, 10001 Zagreb, Croatia.
authors.forename: Jasmina
authors.initials: J
authors.lastname: Sabolović
authors.forename: Vesna
authors.initials: V
authors.lastname: Noethig-Laslo
mesh_terms: D000596:Amino Acids / Q000737:chemistry*; D003300:Copper / Q000737:chemistry*; D004578:Electron Spin Resonance Spectroscopy; D057927:Hydrophobic and Hydrophilic Interactions; D007532:Isoleucine / Q000031:analogs & derivatives* / Q000737:chemistry*; D008958:Models, Molecular; D008968:Molecular Conformation; D009942:Organometallic Compounds / Q000737:chemistry*; D013696:Temperature; D014867:Water / Q000737:chemistry*
chemical_list: D000596:Amino Acids; D009942:Organometallic Compounds; C458823:bis(N,N-dimethyl-isoleucinato)copper(II); D007532:Isoleucine; D014867:Water; D003300:Copper