Please use this identifier to cite or link to this item:
Title: Definition of a new information-based per-residue quality parameter.
Authors: Nabuurs, SB
Krieger, E
Spronk, CA
Nederveen, AJ
Vriend, G
Vuister, GW
First Published: Oct-2005
Citation: J BIOMOL NMR, 2005, 33 (2), pp. 123-134
Abstract: For biomolecular NMR structures typically only a poor correspondence is observed between statistics derived from the experimental input data and structural quality indicators obtained from the structure ensembles. Here, we investigate the relationship between the amount of available NMR data and structure quality. By generating datasets with a predetermined information content and evaluating the quality of the resulting structure ensembles we show that there is, in contrast to previous findings, a linear relation between the information contained in experimental data and structural quality. From this relation, a new quality parameter is derived that provides direct insight, on a per-residue basis, into the extent to which structural quality is governed by the experimental input data.
DOI Link: 10.1007/s10858-005-2826-5
ISSN: 0925-2738
Type: Journal Article
Appears in Collections:Published Articles, Dept. of Biochemistry

Files in This Item:
There are no files associated with this item.

Items in LRA are protected by copyright, with all rights reserved, unless otherwise indicated.