Statistical potentials for fold assessment

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Statistical potentials for fold assessment.

A protein structure model generally needs to be evaluated to assess whether or not it has the correct fold. To improve fold assessment, four types of a residue-level statistical potential were optimized, including distance-dependent, contact, Phi/Psi dihedral angle, and accessible surface statistical potentials. Approximately 10,000 test models with the correct and incorrect folds were built by...

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Development of novel statistical potentials for protein fold recognition.

The need to perform large-scale studies of protein fold recognition, structure prediction and protein-protein interactions has led to novel developments of residue-level minimal models of proteins. A minimum requirement for useful protein force-fields is that they be successful in the recognition of native conformations. The balance between the level of detail in describing the specific interac...

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Orientational potentials extracted from protein structures improve native fold recognition.

We develop coarse-grained, distance- and orientation-dependent statistical potentials from the growing protein structural databases. For protein structural classes (alpha, beta, and alpha/beta), a substantial number of backbone-backbone and backbone-side-chain contacts stabilize the native folds. By taking into account the importance of backbone interactions with a virtual backbone interaction ...

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ژورنال

عنوان ژورنال: Protein Science

سال: 2009

ISSN: 0961-8368

DOI: 10.1002/pro.110430