Advanced Molecular Dynamics Approaches to Model a Tertiary Complex APRIL/TACI with Long Glycosaminoglycans

Advanced Molecular Dynamics Approaches to Model a Tertiary Complex APRIL/TACI with Long Glycosaminoglycans

Glycosaminoglycans (GAGs) are linear anionic periodic polysaccharides participating in a number of biologically relevant processes in the extracellular matrix via interactions with their protein targets. Due to their periodicity, conformational flexibility, pseudo-symmetry of the sulfation pattern,...

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Bibliographic Details
Main Authors: Mateusz Marcisz, Martyna Maszota-Zieleniak, Bertrand Huard, Sergey A. Samsonov
Format: Article
Language:English
Published: MDPI AG 2021-09-01
Series:Biomolecules
Subjects:
van der Waals replica exchange molecular dynamics
long glycosaminoglycans
APRIL
APRIL receptors
MM/GBSA
Online Access:https://www.mdpi.com/2218-273X/11/9/1349

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https://www.mdpi.com/2218-273X/11/9/1349

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