KIF-Key Interactions Finder: A program to identify the key molecular interactions that regulate protein conformational changes.

Abstract excerpt

Simulation datasets of proteins (e.g., those generated by molecular dynamics simulations) are filled with information about how a non-covalent interaction network within a protein regulates the conformation and, thus, function of the said protein. Most proteins contain thousands of non-covalent interactions, with most of these being largely irrelevant to any single conformational change. The ability to...

Topics

Share this publication in a Topic to start or enrich a Post.

• Share to Molecular Conformation
• Share to Molecular Dynamics Simulation