Assessment of Semiempirical Quantum Mechanical Methods for the Evaluation of Protein Structures

The ability to discriminate native structures from computer-generated misfolded ones is key to predicting the three-dimensional structure of a protein from its amino acid sequence. Here we describe an assessment of semiempirical methods for discriminating native protein structures from decoy models....

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Veröffentlicht in:Journal of chemical theory and computation 2007-07, Vol.3 (4), p.1609-1619
Hauptverfasser: Wollacott, Andrew M, Merz, Kenneth M
Format: Artikel
Sprache:eng
Online-Zugang:Volltext
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