Implementation of the UNRES/SUGRES-1P Coarse-Grained Model of Heparin for Simulating Protein/Heparin Interactions

A Danielsson, SA Samsonov… - Journal of Chemical …, 2024 - ACS Publications
Heparin is a natural highly sulfated unbranched periodic polysaccharide that plays a critical
role in regulating various cellular events through interactions with its protein targets such as …

[HTML][HTML] Thrombin-derived C-terminal peptides bind and form aggregates with sulfated glycosaminoglycans

G Petruk, J Petrlova, F Samsudin, PJ Bond… - Heliyon, 2024 - cell.com
Glycosaminoglycans (GAGs) such as heparin and heparan sulfate (HS) play crucial roles in
inflammation and wound healing, serving as regulators of growth factors and pro …

[PDF][PDF] Molecular dynamics simulations of interactions between polymeric nanoparticles and lipid membranes

G Łazarski - 2024 - ruj.uj.edu.pl
Abstract 1 1 Introduction 3 1.1 Computational methods in chemistry: a whirlwind tour........... 3
1.1. 1 All-atom molecular dynamics..................... 3 1.1. 2 Coarse grain molecular …