Automated methods for protein structure determination by NMR have increasingly gained
acceptance and are now widely used for the automated assignment of distance restraints …

Around half of all protein structures solved nowadays using solution-state nuclear magnetic
resonance (NMR) spectroscopy have been because of automated data analysis. The …

The process of assigning a finite set of tags or labels to a collection of observations, subject
to side conditions, is notable for its computational complexity. This labeling paradigm is of …

We describe a general and robust method for identification of an optimal non-linear mixed
effects model. This includes structural, inter-individual random effects, covariate effects and …

Abstract MATCH (M emetic A lgori t hm and C ombinatorial Optimization H euristics) is a new
memetic algorithm for automated sequence-specific polypeptide backbone NMR …

This chapter gives an overview of automated protein structure determination by nuclear
magnetic resonance (NMR) with the UNIO protocol that enables high to full automation of all …

Denoising multidimensional NMR-spectra is a fundamental step in NMR protein structure
determination. The state-of-the-art method uses wavelet-denoising, which may suffer when …

Background: Drug discovery is a complex and unpredictable endeavor with a high failure
rate. Current trends in the pharmaceutical industry have exacerbated these challenges and …

We have developed a graphics based algorithm for semi-automated protein NMR
assignments. Using the basic sequential triple resonance assignment strategy, the method …

A new algorithm, DYNASSIGN, for the automated assignment of NMR chemical shift
resonances was developed in which expected cross peaks in multidimensional NMR …