PULSAR – Ion-Mobility Mass Spectrometry Analysis Software

PULSAR (Protein Unfolding for Ligand Stabilisation and Ranking) is proprietary software for the analysis of ion-mobility mass spectrometry data. The software handles importing mobility data, the organisation of spectra by experimental meta-information, and visualisation of mass and mobility data. Fitting of mass spectra and automatic calculation of CCS values of ions, using measurements from both travelling-wave and drift-tube ion-mobility mass spectrometers, can also be achieved. The software provides a workflow for the modelling of gas-phase unfolding trajectories and the tools to quantify and compute gas-phase stabilisation of proteins. Use of the PULSAR software enables insight into protein structure and dynamics, crucial for drug discovery and development programmes.

Protein-ligand interactions

The function of biomolecules is, in part, defined by the identity of their binding partners and the strength of these interactions. A diverse range of biophysical techniques has been developed to probe these interactions.

These studies are generally based on the spectroscopic properties of the molecules in question or the thermal properties of the binding process. Such measurements typically contain contributions from both the free and bound states, and will not therefore provide information about ligand binding directly.

Ion-Mobility Mass Spectrometry

Mass Spectrometry (MS) has provided information on protein oligomeric state, binding stoichiometry, and the structure and stability of protein-ligand complexes. To probe the protein structure and dynamics, a pairing of MS with Ion-Mobility (IM) has proven advantageous. These novel insights have substantial value in drug discovery and development programmes.

PULSAR (Protein Unfolding for Ligand Stabilisation and Ranking)

Oxford researchers have developed PULSAR, proprietary software for the analysis of ion-mobility mass spectrometry data. The software provides a workflow for the modelling of gas-phase unfolding trajectories and the tools to quantify and compute gas-phase stabilisation of proteins.

Use of the PULSAR software enables insight into protein structure and dynamics, crucial for drug discovery and development programmes.

The Oxford software and method enable:

  • Visualisation of IM-MS data
  • Quantification of gas-phase stabilisation of proteins
  • Study of systems with multiple ligands
  • Study of effects on stability of ligand binding
  • Characterisation of the effects of lipid binding on membrane proteins

PULSAR is available to license from Oxford University Innovation. For further information, please contact the Technology Transfer Manager.

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