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The αBB Approach in Protein Folding

  • Christodoulos A. Floudas
Part of the Nonconvex Optimization and Its Applications book series (NOIA, volume 37)

Abstract

In this chapter, we address the structure prediction problem in protein folding via the αBB global optimization approach. Section 16.1 provides an introduction to the protein folding problem. Section 16.2 describes the potential energy model and two solvation models based on the area and volume accessible to the solvent. Section 16.3 discusses the concepts, the algorithmic issues and the implementation of the global optimization approach αBB as it is applied to the protein folding problem. Finally, section 16.4 presents computational studies for unsolvated and solvated pentapeptides. The material presented in this chapter is based on the work of Maranas et al. (1996), Androulakis et al. (1997a), Klepeis et al. (1998), Klepeis and Floudas (1999a), and Floudas et al. (1999b).

Keywords

Dihedral Angle Hydration Free Energy Global Minimum Energy Minimum Energy Conformation Global Optimization Approach 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Springer Science+Business Media Dordrecht 2000

Authors and Affiliations

  • Christodoulos A. Floudas
    • 1
  1. 1.Department of Chemical EngineeringPrinceton UniversityPrincetonUSA

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