Evolution of physics-based methodology for exploring the conformational energy landscape of proteins

Journal of Computational Chemistry
H A ScheragaY A Arnautova

Abstract

The evolution of our physics-based computational methods for determining protein conformation without the introduction of secondary-structure predictions, homology modeling, threading, or fragment coupling is described. Initial use of a hard-sphere potential captured much of the structural properties of polypeptide chains, and subsequent more refined force fields, together with efficient methods of global optimization provide indications that progress is being made toward an understanding of the interresidue interactions that underlie protein folding.

References

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Citations

Mar 21, 2009·The Journal of Physical Chemistry. a·Gaurav Arya, Tamar Schlick
May 17, 2005·Proceedings of the National Academy of Sciences of the United States of America·S OłdziejH A Scheraga
Aug 12, 2015·Journal of Chemical Information and Modeling·Bartłomiej ZaborowskiAdam Liwo
Apr 9, 2015·Quarterly Reviews of Biophysics·Harold A Scheraga
Jan 30, 2004·Biophysical Journal·Jorge A VilaHarold A Scheraga
Nov 20, 2003·Journal of the American Chemical Society·Paolo CarnevaliSiavash N Meshkat

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