The energetics of water molecules in proteins is studied using the water placement software Dowser. We compared the water position predictions for 14 high-resolution crystal structures of oligopeptide-binding protein (OppA) containing a large number of resolved internal water molecules. From the analysis of the outputs of Dowser with variable parameters and comparison with experimental X-ray da...

Several techniques in molecular biology frequently yield partial and ambiguous data on genes and gene products. For instance, N-terminal sequence analysis of oligopeptide cleavage products generates this type of sequence data. Typically, data generated from blotted or HPLC-resolved peptides consist of disconnected and unordered oligopeptides derived from N-terminal analysis of fragments resulti...

Secondary and tertiary structure predictions of oligopeptide systems have been done by Monte Carlo simulations based on simulated annealing and multicanonical algorithm. Two oligopeptides, C-peptide of ribonuclease A and the fragment BPTI(1636) of bovine pancreatic trypsin inhibitor were studied. Only the amino-acid sequence information was used as input and initial conformations were randomly ...

Synopsis A calculation has been done of the circular dichroism (CD) spectrum of an unordered polypeptide chain. This has been based on a Boltzmann averaging over a dipeptide conformational CD map. This is shown to be valid by comparing the CD spectra of 28-mer oligopeptides with those generated by summing dipeptide CD spectra. The calculated CD spectrum of an unordered polypeptide chain is foun...

Obesity is a complex disease involving an excessive amount of body fat. generally caused by eating too much and physical activity little. High-calorie diet-induced obesity occurs in both sexes, but more pronounced changes blood parameters associated with this are common men. However, the gender-specific mechanisms development little known. Therefore, purpose our study was to determine sex-speci...