Molecular dynamic simulations of heparan sulfate interactions with proteins are possible even with modest laboratory computers. These simulations can be used to visualize the conformational flexibility of different domains within heparan sulfate chains and, when combined with recent advances in protein–GAG docking, can provide additional insights into GAG–protein interactions.
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Publication Details
Author Information and Affiliations
Authors
Ding Xu, PhD,1 Jeffrey D Esko, PhD,2 James H Prestegard, PhD,3 and Robert J Linhardt, PhD4.Affiliations
Copyright
The content of this book is licensed under a Creative Commons Attribution-NonCommercial-NoDerivs 4.0 Unported license. To view the terms and conditions of this license, visit https://creativecommons.org/licenses/by-nc-nd/4.0/
Publisher
Cold Spring Harbor Laboratory Press, Cold Spring Harbor (NY)
NLM Citation
Xu D, Esko JD, Prestegard JH, et al. Molecular Dynamic Simulations. In: Varki A, Cummings RD, Esko JD, et al., editors. Essentials of Glycobiology [Internet]. 4th edition. Cold Spring Harbor (NY): Cold Spring Harbor Laboratory Press; 2022. Online Appendix 38A.