Nanotech 2002 Vol. 2
Nanotech 2002 Vol. 2
Technical Proceedings of the 2002 International Conference on Computational Nanoscience and Nanotechnology

Sequence and Biological Structure Chapter 2

Computer Program Simulation of Protein Sturcture and Theory of Mechanic Force for Protein Folding II

Authors: K.U. Lu

Affilation: California State University, United States

Pages: 40 - 43

Keywords: computer graphic program, deterministic theory of atomic structure, protein structure, numerical coordinates, theory of mechanic force for protein folding.

In the previous paper [21], we have worked out the calculation of the coordinates of the atoms in polypeptide chain, and the mathematical procedures for computing the coordinates of atoms of the alpha helices and 310 helices, based on the deterministic theory of atomic structure. In this paper, we work out the computer programs to carry out the calculation and the computer graphics of the primary structure and the secondary helix structure of proteins. We elaborate on the arguments for theory of mechanic force for protein folding into a secondary and tertiary structure. We also work out the rotation and the calculation in computer graphic program to orient the computer generated helix segment to coincide with the helix segment in the tertiary structure of proteins based on experiment. We need only the coordinates of two proper points in the helix segment from the experiment to orient the computer generated helix segment.

ISBN: 0-9708275-6-3
Pages: 504