Computerized molecular modeling of carbohydrates

Methods Mol Biol. 2011:715:21-42. doi: 10.1007/978-1-61779-008-9_2.

Abstract

Computerized molecular modeling continues to increase in capability and applicability to carbohydrates. This chapter covers nomenclature and conformational aspects of carbohydrates, perhaps of greater use to carbohydrate-inexperienced computational chemists. Its comments on various methods and studies might be of more use to computation-inexperienced carbohydrate chemists. New work on intrinsic variability of glucose, an overall theme, is described.

MeSH terms

  • Carbohydrates / chemistry*
  • Cell Wall / chemistry
  • Computer Simulation*
  • Hydrogen Bonding
  • Models, Molecular*
  • Molecular Conformation
  • Quantum Theory
  • Terminology as Topic

Substances

  • Carbohydrates