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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Detalles Bibliográficos
Autores principales: Solanke, Charles Oluremi, Trapl, Dalibor, Šućur, Zoran, Mareška, Václav, Tvaroška, Igor, Spiwok, Vojtěch
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6908686/
https://www.ncbi.nlm.nih.gov/pubmed/31831756
http://dx.doi.org/10.1038/s41598-019-53815-w

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6908686/
https://www.ncbi.nlm.nih.gov/pubmed/31831756
http://dx.doi.org/10.1038/s41598-019-53815-w

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