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- Publisher
- Wiley
- Copyright
- Copyright © 2004 Wiley Subscription Services, Inc., A Wiley Company
- ISSN
- 0108-7673
- eISSN
- 1600-5724
- DOI
- 10.1107/S0108767304004246
- pmid
- 15103162
- Publisher site
- See Article on Publisher Site
Abstract
The differences between two databases describing the polypeptide main chain in terms of charge‐density parameters, directly usable in protein structure refinements, are discussed. These databases contain averaged multipole populations of peptide pseudo‐atoms obtained from refinement against theoretical simulated data and against high‐resolution experimental data on small peptide or amino acid molecules. The main discrepancy becomes apparent when electrostatic properties are calculated.
Journal
Acta Crystallographica Section A Foundations of Crystallography – Wiley
Published: May 1, 2004
Keywords: ; ; ; ; ;