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Protein WISDOM: A Workbench for In silico De novo Design of BioMolecules
Published on: July 25, 2013
Hidden structure in protein energy landscapes
Dengming Ming1, Marian Anghel, Michael E Wall
1Computer, Computational, and Statistical Sciences Division, Los Alamos National Laboratory, Los Alamos, NM 87545, USA.
Abstract:
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.
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