ISD: a software package for Bayesian NMR structure calculation

ISD: a software package for Bayesian NMR structure calculation

UNLABELLED 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. T...

Bayesian Weighting of Statistical Potentials in NMR Structure Calculation

The use of statistical potentials in NMR structure calculation improves the accuracy of the final structure but also raises issues of double counting and possible bias. Because statistical potentials are averaged over a large set of structures, they may not reflect the preferences of a particular structure or data set. We propose a Bayesian method to incorporate a knowledge-based backbone dihed...

Houghtool|a Software Package for Hough Transform Calculation 1

The Hough Transform (HT) is a popular method to detect curve segments in an image. A software package, the Houghtool, is proposed to calculate the HT. Several methods are implemented in the package, including new techniques of the HT like probabilistic approaches which use random sampling of input points. The aim of the Houghtool is to ooer tools both to nd a proper algorithm to a special task ...

Automated NMR protein structure calculation

BioBayes: A software package for Bayesian inference in systems biology

MOTIVATION There are several levels of uncertainty involved in the mathematical modelling of biochemical systems. There often may be a degree of uncertainty about the values of kinetic parameters, about the general structure of the model and about the behaviour of biochemical species which cannot be observed directly. The methods of Bayesian inference provide a consistent framework for modellin...