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Atomistic simulation of carbohydrate-protein complex formation: Hevein-32 domain
Interactions between proteins and their small molecule ligands are of great importance for the process of drug design. Here we report an unbiased molecular dynamics simulation of systems containing hevein domain (HEV32) with N-acetylglucosamine mono-, di- or trisaccharide. Carbohydrate molecules wer...
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| Publicado no: | Sci Rep |
|---|---|
| Main Authors: | , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Nature Publishing Group UK
2019
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6908686/ https://ncbi.nlm.nih.gov/pubmed/31831756 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-019-53815-w |
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