NMR structure calculation for all small molecule ligands and non-standard residues from the PDB Chemical Component Dictionary

Computer vision-based automated peak picking applied to protein NMR spectra

(2015) Piotr Klukowski et al.   BIOINFORMATICS

The chemical component dictionary: complete descriptions of constituent molecules in experimentally determined 3D macromolecules in the Protein Data Bank

(2014) John D. Westbrook et al.   BIOINFORMATICS

A New Algorithm for Reliable and General NMR Resonance Assignment

(2012) Elena Schmidt et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Advances in automated NMR protein structure determination

(2011) Paul Guerry et al.   QUARTERLY REVIEWS OF BIOPHYSICS

Solution Structure of Polytheonamide B, a Highly Cytotoxic Nonribosomal Polypeptide from Marine Sponge

(2010) Toshiyuki Hamada et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

PICKY: a novel SVD-based NMR spectra peak picking method

(2009) B. Alipanahi et al.   BIOINFORMATICS

Probabilistic Interaction Network of Evidence Algorithm and its Application to Complete Labeling of Peak Lists from Protein NMR Spectroscopy

(2009) Arash Bahrami et al.   PLoS Computational Biology

Automated structure determination from NMR spectra

(2008) Peter Güntert   EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS

Crystallographic Studies on Multiple Conformational States of Active-site Loops in Pyrrolysyl-tRNA Synthetase

(2008) Tatsuo Yanagisawa et al.   JOURNAL OF MOLECULAR BIOLOGY