Improving the Physical Realism and Structural Accuracy of Protein Models by a Two-Step Atomic-Level Energy Minimization

Most protein structural prediction algorithms assemble structures as reduced models that represent amino acids by a reduced number of atoms to speed up the conformational search. Building accurate full-atom models from these reduced models is a necessary step toward a detailed function analysis. How...

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Veröffentlicht in:	Biophysical journal 2011-11, Vol.101 (10), p.2525-2534
Hauptverfasser:	Xu, Dong, Zhang, Yang
Format:	Artikel
Sprache:	eng
Schlagworte:	Algorithms Amino acids Atoms & subatomic particles Models, Molecular Molecular Dynamics Simulation Molecular structure Protein Protein Structure, Secondary Proteins Proteins - chemistry Software Thermodynamics
Online-Zugang:	Volltext
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