Computational Approaches to Protein Structure Design: Beta-Bellin.

Abstract

Computer analysis of protein models is used to aid design of new protein structures. Using atomic coordinates of beta-bellin, an antiparallel beta-sheeted protein model designed by Jane & David Richardson, characteristics such as solvent-accessible surface, polypeptide backbone twist, beta-barrel geometry, empirical potential energy etc. were computed and compared with values obtained from atomic coordinates of native proteins. This approach involves computer analysis of native proteins as well. In addition to static molecular properties, dynamical behavior of native proteins and protein models is compared using molecular dynamics calculations. Keywords: Computerized simulations; Three dimensional molecular structure.

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Document Details

Document Type
Technical Report
Publication Date
Jan 26, 1987
Accession Number
ADA176359

Entities

People

  • Jiri Novotny

Organizations

  • Massachusetts General Hospital

Tags

DTIC Thesaurus Topics

  • Air Force
  • Biochemistry
  • Biological Sciences
  • Biophysics
  • Biotechnology
  • Chemical Engineering
  • Chemistry
  • Computers
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  • Molecular Biology
  • Molecular Dynamics
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Fields of Study

  • Chemistry

Readers

  • Computational Modeling and Simulation
  • Finite Element Method (FEM) for solving Partial Differential Equations (PDEs)
  • Molecular Genetics