Ontology highlight
ABSTRACT:
SUBMITTER: Yang M
PROVIDER: S-EPMC5493700 | biostudies-literature | 2017 Jun
REPOSITORIES: biostudies-literature
Yang Mingjun M Huang Jing J Simon Raphael R Wang Lai-Xi LX MacKerell Alexander D AD
Scientific reports 20170630 1
To better understand the conformational properties of the glycan shield covering the surface of the HIV gp120/gp41 envelope (Env) trimer, and how the glycan shield impacts the accessibility of the underlying protein surface, we performed enhanced sampling molecular dynamics (MD) simulations of a model glycosylated HIV Env protein and related systems. Our simulation studies revealed a conformationally heterogeneous glycan shield with a network of glycan-glycan interactions more extensive than tho ...[more]