[Analysis of side group conformations in molecular mechanics. Possibility of reduction of the side group conformation library in alpha-helical proteins]

Biofizika. 2004 Nov-Dec;49(6):1144-6.
[Article in Russian]

Abstract

A new reduced library of side-chain conformations in proteins has been formed with the aim to apply it as a start point in the molecular mechanics calculations. The adequacy of this library was demonstrated by computation of X-ray determined a-helical protein (PDB code 1BB1) as example.

Publication types

  • English Abstract
  • Letter

MeSH terms

  • Amino Acids / chemistry*
  • Animals
  • Crystallography, X-Ray
  • Databases, Protein
  • Humans
  • Models, Molecular*
  • Protein Conformation
  • Protein Structure, Secondary
  • Proteins / chemistry*

Substances

  • Amino Acids
  • Proteins