Hidden structure in protein energy landscapes

作者:Ming Dengming; Anghel Marian; Wall Michael E*
来源:Physical Review E, 2008, 77(2): 021902.
DOI:10.1103/PhysRevE.77.021902

摘要

Inherent structure theory is used to discover strong connections between simple characteristics of protein structure and the energy landscape of a Go (o) over bar 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.