A new force field (ECEPP-05) for peptides, proteins, and organic molecules

Article Abstract:

Parametrization and testing of a new all-atom force field for organic molecules and peptides with fixed bond lengths and bond lengths are presented. The investigation of the torsional-angle and atom-positional root-mean-square deviations of the energy-minimized crystal structures from the corresponding X-ray model structures have indicated high accuracy of the force field.

Analysis, Quantum theory, Quantum mechanics, Van der Waals forces

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Stabilization of sulfide radical cations through complexation with the peptide bond: mechanisms relevant to oxidation of proteins containing multiple methionine residues

Article Abstract:

Mechanisms involved in stabilization of sulfide radical cations through complexation with the peptide bond are described. It is proved that the one electron oxidation by [super .]OH radicals of a simple dipeptide containing two methionine residues leads to efficient formation of the Met(S..N) radicals.

Oxidation-reduction reaction, Oxidation-reduction reactions, Sulfides

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Pulse radiolysis studies of intramolecular electron transfer in model peptides and proteins. 8. Trp(NH.+) to Tyr(O.) radical transformation in H-Trp-(Pro)n-Tyr-OH,n=3-5, series of peptides

Article Abstract:

Pulse radiolysis is used to study the kinetics of intramolecular long-range electron transfer between the protonated trytophan indolyl radical cation in equilibrium with its neutral form and tyrosine in aqueous H-Trp-(Pro)n-Tyr-OH,n=3-5 peptides.

Research, Observations, Radiation chemistry, Electrons, Tryptophan, Tyrosine

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