Complementary approaches to obtaining thermodynamic parameters from protein ligand systems-challenges and opportunities

EPJ Web of Conferences, vol. 272, pp. 01016

Abstract

Protein ligand interactions play an important role in biology. Increasingly the aim is to understand and influence protein ligand binding. The binding process is heavily influenced by its thermodynamic parameters. In order to understand how the whole system thermodynamics work it is important to characterise the individual contribution of each of the systems components. While the change in conformational entropy of the protein can be determined using QENS complementary methods are necessary in order to characterise all components. This paper will describe the challenges that can occur when combining the different methods, as well as how they can be overcome.

Authors 5

1. Mona Sarter

   Rutherford Appleton Laboratory · ISIS Neutron and Muon Source

   Affiliation as printed

   ISIS Neutron and Muon Facility, STFC Rutherford Appleton Laboratory, Chilton, Didcot, OX11 0QX, UK

2. Doreen Niether

   Forschungszentrum Jülich · Jülich Aachen Research Alliance

   Affiliation as printed

   Institute of Biological Information Processing (IBI-4: Biomacromolecular Systems and Processes) & JARA-SOFT, Forschungszentrum Jülich GmbH, D-52428 Jülich, Germany

3. Simone Wiegand

   Forschungszentrum Jülich · University of Cologne · Jülich Aachen Research Alliance

   Affiliation as printed

   Department für Chemie Physikalische Chemie, Universität zu Köln, 50939 Cologne, Germany

   Institute of Biological Information Processing (IBI-4: Biomacromolecular Systems and Processes) & JARA-SOFT, Forschungszentrum Jülich GmbH, D-52428 Jülich, Germany

4. Jörg Fitter Aachen I. Physikalisches Institut

   Forschungszentrum Jülich · RWTH Aachen University

   Affiliation as printed

   I. Physikalisches Institut (IA), AG Biophysik, RWTH Aachen, Sommerfeldstrasse 14, Aachen D-52074, Germany

   Institute of Biological Information Processing (IBI-6: Molecular Biophysics), Forschungszentrum Jülich GmbH, D-52428 Jülich, Germany

5. Andreas Maximilian Stadler Aachen Institute of Physical Chemistry

   Forschungszentrum Jülich · RWTH Aachen University

   Affiliation as printed

   Institute of Physical Chemistry, RWTH Aachen University, Landoltweg 2, Aachen D-52056, Germany

   Jülich Centre for Neutron Science (JCNS-1) and Institute of Biological Information Processing (IBI-8: Neutron Scattering and Soft Matter), Forschungszentrum Jülich GmbH, D-52428 Jülich, Germany