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Residue-specific α-helix propensities from molecular simulation

Robert B Best1, David de Sancho, Jeetain Mittal

  • 1Department of Chemistry, University of Cambridge, Cambridge, United Kingdom. rbb24@cam.ac.uk

Biophysical Journal
|March 30, 2012
PubMed
Summary

This study evaluates two Amber force fields for predicting protein α-helix formation. Amber ff99SB(*) shows better accuracy, with charge and torsion potential refinements improving predictions for specific amino acid residues.

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