BiophysicsbioRxivPreprint
Molecular Dynamics Simulations of Glycosaminoglycan Oligosaccharide Using Newer Force Fields
Balaji Nagarajan, Nehru Viji Sankaranarayanan, Umesh R. Desai
This study compares molecular dynamics simulations of heparan sulfate oligosaccharides using CHARMM36 and GLYCAM06 force fields, revealing multiple low-energy conformations stabilized by water bridges.
DOI 10.1101/561969