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Licensed Unlicensed Requires Authentication Published by De Gruyter November 29, 2013

The identification and the elimination of clashes in the structure of an early-stage intermediate in the protein folding process

  • Zbigniew Baster EMAIL logo

Abstract

The model (under consideration) to simulate the protein folding process assumes two steps: early stage (ES) and late stage (LS). The first is assumed to define the preliminary structure, which when applied to an optimization procedure, may produce the proper structure of the protein. However, the ES model produces the structures with clashes. This work demonstrates the possible solution to remove clashes before proceeding to the LS. Additionally, the presented solution describes mathematically the precession phenomenon, which might be useful in other fields of studies aside from protein folding such as medical imaging, quantum physics, and astronomy.


Corresponding author: Zbigniew Baster, Faculty of Biochemistry, Biophysics and Biotechnology, Department of Physical Biochemistry, Jagiellonian University, Gronostajowa 7, 30-387 Cracow, Poland; and Faculty of Physics and Applied Computer Science, AGH University of Science and Technology, 30 Mickiewicza Avenue, 30-059 Cracow, Poland, E-mail:

Appendix

Figure A1 The diagram of the global solution in general.
Figure A1

The diagram of the global solution in general.

Figure A2 The diagram of the clash removal sequence after finding the clash.
Figure A2

The diagram of the clash removal sequence after finding the clash.

References

1. Roterman I. Modelling the optimal simulation path in the peptide chain folding – studies based on geometry of alanine heptapeptide. J Theor Biol 1995;177:283–8.10.1006/jtbi.1995.0245Search in Google Scholar

2. Brylinski M, Konieczny L, Czerwonko P, Jurkowski W, Roterman I. Early-stage folding in proteins (in silico) sequence-to-structure relation. J Biomed Biotechnol 2005;2:65–79.10.1155/JBB.2005.65Search in Google Scholar

3. Bryliński M, Konieczny L, Kononowicz A, Roterman I. Conservative secondary structure motifs already present in early-stage folding (in silico) as found in the serpine family. J Theor Biol 2008;251(2):275–85.10.1016/j.jtbi.2007.10.041Search in Google Scholar

4. Konieczny L, Bryliński M, Roterman I. Gauss-function-based model of hydrophobicity density in proteins. In Silico Biol 2006;6:15–22.Search in Google Scholar

5. Kauzmann W. Some factors in the interpretation of protein denaturation. Adv Protein Chem 1959;14:1–63.10.1016/S0065-3233(08)60608-7Search in Google Scholar

6. Roterman I, Konieczny L, Jurkowski W, Prymula K, Banach M. Two-intermediate model to characterize the structure of fast-folding proteins. J Theor Biol 2011;283:60–70.10.1016/j.jtbi.2011.05.027Search in Google Scholar PubMed

7. Kalinowska B, Alejster P, Sapała K, Baster Z, Roterman I. Hypothetical in silico model of the early-stage intermediate in protein folding. J Mol Model 2013;19:4259–69.10.1007/s00894-013-1909-6Search in Google Scholar PubMed PubMed Central

8. Zhou AQ, O’Hern CS, Regan L. Revisiting the Ramachandran plot from a new angle. Prot Sci 2011;20:1166–71.10.1002/pro.644Search in Google Scholar PubMed PubMed Central

9. Baster Z. The identification and the elimination of clashes in the structure of an early-stage intermediate in the protein folding process. Master’s thesis. Cracow: AGH University of Science and Technology, 2013. Available at: http://www.zbaster.com/mastersthesisbaster.pdf. Accessed on 28 Oct 2013.10.1515/bams-2013-0113Search in Google Scholar

10. Richardson JS. Wikipedia, 2011 May 17. Available at: http://upload.wikimedia.org/wikipedia/commons/archive/c/c0/20130810000006%21Protein_backbone_PhiPsiOmega_drawing.jpg. Accessed on 23 July 2013.Search in Google Scholar

11. Urutseg, Herbye, Sulzer H. Wikipedia, 2012 May 14. Available at: http://upload.wikimedia.org/wikipedia/commons/b/bb/Praezession.svg. Accessed on 14 July 2013.Search in Google Scholar

Received: 2013-10-29
Accepted: 2013-11-6
Published Online: 2013-11-29
Published in Print: 2013-12-01

©2013 by Walter de Gruyter Berlin Boston

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