ATP and its N6-substituted analogues: parameterization, molecular dynamics simulation and conformational analysis

Paweł Gruszczyński , Krzysztof Smalara , Michał Obuchowski , Rajmund Kaźmierkiewicz

Abstract

n/a
Author Paweł Gruszczyński (IFB)
Paweł Gruszczyński,,
- Intercollegiate Faculty of Biotechnology UG
, Krzysztof Smalara (FCh / DTCh / LSP)
Krzysztof Smalara,,
- Laboratory of Simulation of Polymers
, Michał Obuchowski (IFB / DMedB)
Michał Obuchowski,,
- Department of Medical Biotechnology
, Rajmund Kaźmierkiewicz (IFB / IB / LBSS)
Rajmund Kaźmierkiewicz,,
- Laboratory of Biomolecular Systems Simulations
Journal seriesJournal of Molecular Modeling, ISSN 1610-2940, (A 20 pkt)
Issue year2011
Vol17
No5
Pages1081-1090
Keywords in Englishadenosine triphosphate, molecular dynamics, conformational analysis, simulated annealing
DOIDOI:10.1007/s00894-010-0808-3
URL http://www.springerlink.com/content/x220785069087826/fulltext.pdf
Languageen angielski
Score (nominal)25
Publication indicators WoS Impact Factor: 2011 = 1.797 (2) - 2011=2.312 (5)
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