[Experience in simulating the structural and dynamic features of small proteins using table supercomputers].

The results of theoretical studies of the structural and dynamic features of peptides and small proteins have been presented that were carried out by quantum chemical and molecular dynamics methods in high-performance graphic stations, "table supercomputers", using distributed calculations by the CUDA technology.

[Helix-forming conformers in structural organization of methylamides of N-acetyl-alpha-L-amino acids. Quantum-chemical study].

Based on the results of quantum-chemical PM3 calculations, some common structural and thermodynamic properties of low-energy monopeptide conformers have been revealed that may be responsible for the initiation of alpha- or beta-like forms in polypeptide structures.