ISD: A Software Package for Bayesian NMR Structure Calculation

Rieping, W; Nilges, M; Habeck, M

doi:10.1093/bioinformatics/btn062

Item

ITEM ACTIONSEXPORT

Add to Basket

Local TagsRelease HistoryDetailsSummary

Released

Journal Article

ISD: A Software Package for Bayesian NMR Structure Calculation

MPS-Authors

/persons/resource/persons83949

Habeck, M
Department Protein Evolution, Max Planck Institute for Developmental Biology, Max Planck Society;

External Resource

No external resources are shared

Fulltext (restricted access)

There are currently no full texts shared for your IP range.

Fulltext (public)

There are no public fulltexts stored in PuRe

Supplementary Material (public)

There is no public supplementary material available

Citation

Rieping, W., Nilges, M., & Habeck, M. (2008). ISD: A Software Package for Bayesian NMR Structure Calculation. Bioinformatics, 24(8), 1104-1105. doi:10.1093/bioinformatics/btn062.

Cite as: https://hdl.handle.net/21.11116/0000-000B-25E4-A

Abstract

SUMMARY: The conventional approach to calculating biomolecular structures from nuclear magnetic resonance (NMR) data is often viewed as subjective due to its dependence on rules of thumb for deriving geometric constraints and suitable values for theory parameters from noisy experimental data. As a result, it can be difficult to judge the precision of an NMR structure in an objective manner. The Inferential Structure Determination (ISD) framework, which has been introduced recently, addresses this problem by using Bayesian inference to derive a probability distribution that represents both the unknown structure and its uncertainty. It also determines additional unknowns, such as theory parameters, that normally need be chosen empirically. Here we give an overview of the ISD software package, which implements this methodology. AVAILABILITY: The program is available at http://www.bioc.cam.ac.uk/isd