Accession Number : ADA401384


Title :   A Multiobjective Approach Applied to the Protein Structure Prediction Problem


Descriptive Note : Master's thesis Aug 2000 - Mar 2002


Corporate Author : AIR FORCE INST OF TECH WRIGHT-PATTERSON AFB OH SCHOOL OF ENGINEERING AND MANAGEMENT


Personal Author(s) : Day, Richard O


Full Text : https://apps.dtic.mil/dtic/tr/fulltext/u2/a401384.pdf


Report Date : 07 Mar 2002


Pagination or Media Count : 228


Abstract : Interest in discovering a methodology for solving the Protein Structure Prediction problem extends into many fields of study including biochemistry, medicine, biology, and numerous engineering and science disciplines. Experimental approaches, such as, x-ray crystallographic studies or solution Nuclear Magnetic Resonance Spectroscopy, to mathematical modeling, such as minimum energy models are used to solve this problem. Recently, Evolutionary Algorithm studies at the Air Force Institute of Technology include the following: Simple Genetic Algorithm (GA), messy GA , fast messy GA, and Linkage Learning GA, as approaches for potential protein energy minimization. Prepackaged software like GENOCOP, GENESIS, and mGA are in use to facilitate experimentation of these techniques. In addition to this software, a parallelized version of the fmGA, the so-called parallel fast messy GA, is found to be good at finding semi-optimal answers in reasonable wall clock time. The aim of this work is to apply a Multiobjective approach to solving this problem using a modified fast messy GA. By dividing the CHARMm energy model into separate objectives, it should be possible to find structural configurations of a protein that yield lower energy values and ultimately more correct conformations.


Descriptors :   *ALGORITHMS , *PROTEINS , COMPUTER PROGRAMS , MATHEMATICAL MODELS , BIOLOGY , BIOCHEMISTRY , ENERGY , THESES , CONFIGURATIONS , GENETICS , CRYSTALLOGRAPHY


Subject Categories : Biochemistry
      Numerical Mathematics


Distribution Statement : APPROVED FOR PUBLIC RELEASE