Dynamics of sialyl Lewis\(^{\mathrm a}\) in aqueous solution and prediction of the structure of the sialyl Lewis\(^{\mathrm a}\)-SelectinE complex

DOI10.1016/J.JTBI.2007.12.024zbMath1398.92085OpenAlexW2041003457WikidataQ46699917 ScholiaQ46699917MaRDI QIDQ1794412

Arunachalam N. Seethalakshmi, K. Veluraja

Publication date: 15 October 2018

Published in: Journal of Theoretical Biology (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.jtbi.2007.12.024

zbMATH Keywords

molecular dynamicsoligosaccharideSelectinEsialyl Lewis\(^{\mathrm a}\)

Mathematics Subject Classification ID

Biochemistry, molecular biology (92C40) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Uses Software

• NAMD2

Cites Work

• NAMD2: Greater scalability for parallel molecular dynamics
• Conformations of terminal sialyloligosaccharide fragments -- a molecular dynamics study

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