Molecular Mechanics Study of Flow and Surface Influence in Ligand-Protein Association.

ABSTRACT: Ligand-protein association is the first and critical step for many biological and chemical processes. This study investigated the molecular association processes under different environments. In biology, cells have different compartments where ligand-protein binding may occur on a membrane. In experiments involving ligand-protein binding, such as the surface plasmon resonance and continuous flow biosynthesis, a substrate flow and surface are required in experimental settings. As compared with a simple binding condition, which includes only the ligand, protein, and solvent, the association rate and processes may be affected by additional ligand transporting forces and other intermolecular interactions between the ligand and environmental objects. We evaluated these environmental factors by

SUBMITTER: Kaushik S 

PROVIDER: S-EPMC8142692 | biostudies-literature | 2021

REPOSITORIES: biostudies-literature