Font Size: a A A

Molecular Volume Calculation And Processing Of Protein Folding

Posted on:2015-05-30Degree:MasterType:Thesis
Country:ChinaCandidate:H H ZhouFull Text:PDF
GTID:2180330422978045Subject:Computer application technology
Abstract/Summary:PDF Full Text Request
With the continuous development of the21st century, computer science andtechnology, computer science and technology have in many scientific fields(biotechnology, medical visualization surgery, bionic technology, etc.) to obtain abreakthrough in, not just in the field of science shine. Among biophysics have a veryimportant topic-the protein folding problem, it is today a major scientificbreakthrough has not been the problem. We now know what DNA can create whatproteins, and these proteins is not clear how the peptide chain from a protein foldsinto a functional structure, a process known as the second genetic code of humanity.To solve this problem, scholars from around the world are basically the structureof a protein starting with kinetic and thermodynamic methods to analyze, get somepractical results available, but did not get the exact theory. With the development ofcomputers, innovative algorithm design, making efficient use of computing,high-capacity, integrated distributed algorithm to verify the advantages of the use ofprotein folding theory and found the theory possible. This article is based on thetheory comes from Professor Fang Yi College of Nanchang University created Gibbsfree energy minimization of protein folding theory, this method is mainly proteinmolecules by calculating the surface area, volume, acting on the solvent moleculesassociated with the void volume, Newton steepest descent method makes proteinmolecules Gibbs free energy minimization, thus changing the structure of the peptidechain folds into a protein structure, the final validation of the theoretical results ofProfessor Fang.With this system CONNOLLY software validation process, through whichdescribes the atomic structure of each amino acid in the calculation of molecularsurface, molecular volume module, using the rotary module folded into proteinfolding, and finally the use of OPENGL image display technology presents the results,achieve the purpose of verification theory.
Keywords/Search Tags:Protein folding, Molecular volume, Molecular area
PDF Full Text Request
Related items