DC-SIGN lectin / multivalent glycomimetics: Parametrisation and Molecular Dynamics

Published: 5 August 2022| Version 1 | DOI: 10.17632/4tdw25k6mc.1
Contributors:
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Description

Parameter files and molecular dynamics snapshots/trajectories of the DC-SIGN lectin and multivalent glycomimetics are made available. 6-1 to 6-5 folder numbering refers to sections in the Supporting Information of the associated Porkolab, V, Lepsik, M et al. manuscript.

Files

Steps to reproduce

See the Supporting Information of the associated Porkolab, V, Lepsik, M et al. manuscript for details.

Institutions

Ustav organicke chemie a biochemie Akademie ved Ceske republiky, Centre de Recherches sur les Macromolecules Vegetales

Categories

Molecular Mechanics with Molecular Dynamics, Ligand Binding, Carbohydrate Molecule, Lectin of Immune System

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