Modeling side-chain conformation

Curr Opin Struct Biol. 1996 Apr;6(2):217-21. doi: 10.1016/s0959-440x(96)80077-7.

Abstract

Over the past few years, a number of methods for the calculation of side-chain conformations in proteins have been described. More recent studies have considered the effect of combinatorial packing, derivations from idealized rotameric structures and, to a limited extent, backbone flexibility on the quality and efficiency of calculations of protein side-chain conformation. Although further work is needed to address the issue of backbone displacements, the recent progress solves the packing problem to a significant degree. This opens the way for fruitful incorporation of these methods into general procedures for homology modeling and studies of ligand-protein interactions.

Publication types

  • Review

MeSH terms

  • Computer Simulation*
  • Models, Molecular*
  • Protein Conformation*
  • Proteins / chemistry*

Substances

  • Proteins