Molecular Surface Calculation And Processing Of Protein Folding

Protein folding problem is listed as an important issue of the21st century biophysics, it is the central dogma of molecular biology a major biological problems unresolved. In order to verify Professor Fang Yi put forward by calculating the free energy to study protein folding. Most studies have focused on the folding model, homology heuristic search in the field of protein folding achieved some results, but most of these results there is no systematic theoretical support. The system development needs from the Faculty of Science, Nanchang University the Gan River academics Professor Fang Yi-demand project "protein folding research protein folding in molecular surface treatment and calculations based on the molecular surface to simulate the verification theory of protein folding. In order to simulation and validation of Professor Fang Yi protein folding theory of protein folding in molecular surface calculation and three-dimensional simulation. The main subject of research on the molecular surface of the protein molecule, and the use of Newton’s steepest descent method to verify the work on the theory of how the peptide chain protein folded into a steady-state model and Professor Fang Yi.Molecular surface calculations of protein folding and processing system used in this article BALL&STICK and CPK model simulations of protein folding process, CONNOLLY and integration software for calculation of polypeptide chain molecular surface area and volume, provide a validation method to study the theory of protein folding problem. The system has four modules:first read molecules of amino acid sequence to generate peptide chains, again use of CONNOLLY modules calculate the surface area and volume of initial build peptide chains, there can be rotated according to the angle of rotation rotating polypeptide chain collapse, the last Visual graphic display technology (OPENGL) displays the result of folding. And to draw Covalent Atomic algorithm for optimization of BALL&STICK model.