Hidden structure in protein energy landscapes.
Inherent structure theory is used to discover strong connections between simple characteristics of protein structure and the energy landscape of a Gō model. The potential energies and vibrational free energies of inherent structures are highly correlated, and both reflect simple measures of networks of native contacts. These connections have important consequences for models of protein dynamics and thermodynamics.
Ming
Dengming
D
Computer, Computational, and Statistical Sciences Division, Los Alamos National Laboratory, Los Alamos, NM 87545, USA.
Anghel
Marian
M
Wall
Michael E
ME
D003198:Computer Simulation; D004735:Energy Transfer; D008956:Models, Chemical; D008958:Models, Molecular; D011487:Protein Conformation; D017510:Protein Folding; D011506:Proteins / Q000737:chemistry* / Q000648:ultrastructure*
D011506:Proteins