Bristol-Myers Squibb Compnay

Pharmacadence Analytical Services, LLC

William Joseph Metzler

Richard C King, Iii

Luciano Mueller

Keith Lewis Constantine

Malcolm Evan Davis

Brian Lee Claus

The present invention comprises novel methods of continuously monitoring the performance of an atmospheric pressure ionization (API) system. The methods of the invention allow for improved quality monitoring of the processes that leads to the formation of ions at atmospheric pressure. The methods of the invention further allow for continuously monitoring for the quality of the ion formation process in API without the addition of extraneous material (such as labelled compounds or control known compounds) to the system being monitored.

Methods of evaluating performance of an atmospheric pressure ionization system

A method of enhancing the throughput and applicability of NMR-based structure determination of protein-ligand complexes is disclosed. The method circumvents the need for protein sequence-specific resonance assignments and combines NMR data analysis and ligand docking methods into an integrated process. In one embodiment, NMR data is used to filter docking results to identify the most consistent binding modes, thereby providing structural information in a high-throughput fashion without the need for assigning protein resonances. Trial assignments for protein-ligand nuclear Overhauser effect (NOE) interactions are also produced by the method.

Protein-ligand NOE matching for high-throughput structure determination

Growing community of inventors

Doylestown, PA, United States of America

William Joseph Metzler