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Conformational Preferences of Triantennary and Tetraantennary Hybrid N-Glycans in Solution: Insights from 20 μS Long Atomistic Molecular Dynamic Simulations

27 July 2020, Version 1
Working Paper
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

In the current study, we have investigated the conformational dynamics of a triantennary and a tetraantennary hybrid N-glycan associated with HIV glycoprotein using 20 micro-second long all-atom molecular dynamics simulations.

Keywords

Hybrod N-glcyans
Molecular Dynamics Simulation Study
PCA analysis
ring Puckering Landscapes
hydrogen bond interactions

Supplementary materials

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Version History

Jul 27, 2020 Version 1

Version Notes

This is first draft

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The content is available under CC BY NC ND 4.0 [opens in a new tab]

DOI

10.26434/chemrxiv.12720644.v1
D O I: 10.26434/chemrxiv.12720644.v1 [opens in a new tab]

Author’s competing interest statement

The authors declare no potential conflict of interest.

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