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Data · dataset · 2024

Docking of 4-O-acetylated sialoglycans onto mammalian sialic acid esterase (SIAE) by molecular dynamics

Listed in Teesside University Research Data Repository

Trajectory files of 10 ns production MD runs to dock 4-O-acetylated sialoglycans, with different glycosidic linkages (a2-3, a2-6).

Description

Files are named according to the substrate used for docking. 4-O23 corresponds to Neu5,9Ac2a2-3Galb1-4GlcNAca-OH 4-O26 corresponds to Neu5,9Ac2a2-6Galb1-4GlcNAca-OH

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Catalogue records · 1

Topics

From keywords
Earth & Environmental Science · Engineering · Humanities · Life Sciences · Social Science
Provenance · 1 source records, 10 field assertions
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Teesside University Research Data Repositoryoai:data.mendeley.com/s6jxg2pr4r.111 d agoJSON v1
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concepts[field].local:field:life-sciencesmapping · researchdata tees ac ukconnector:researchdata_tees_ac_uk@1.0.0
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