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

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 CU...

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Veröffentlicht in:Biophysics (Oxford) 2011-12, Vol.56 (6), p.1026-1032
Hauptverfasser: Kondrat’ev, M. S., Kabanov, A. V., Komarov, V. M., Khechinashvili, N. N., Samchenko, A. A.
Format: Artikel
Sprache:eng
Schlagworte:
Biological and Medical Physics
Biophysics
Molecular biology
Molecular Biophysics
Peptides
Physics
Physics and Astronomy
Proteins
Supercomputers
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Beschreibung
Zusammenfassung: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.
ISSN:0006-3509
1555-6654
DOI:10.1134/S0006350911060108