Complementary approaches to obtaining thermodynamic parameters from protein ligand systems-challenges and opportunities
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 cha...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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EDP Sciences
2022-01-01
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| Series: | EPJ Web of Conferences |
| Online Access: | https://www.epj-conferences.org/articles/epjconf/pdf/2022/16/epjconf_qens-wins2022_01016.pdf |
| _version_ | 1811189174063071232 |
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| author | Sarter Mona Niether Doreen Wiegand Simone Fitter Joerg Stadler Andreas M. |
| author_facet | Sarter Mona Niether Doreen Wiegand Simone Fitter Joerg Stadler Andreas M. |
| author_sort | Sarter Mona |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-04-11T14:31:33Z |
| format | Article |
| id | doaj.art-fe2a36df450e4258bd42cd8627f0b359 |
| institution | Directory Open Access Journal |
| issn | 2100-014X |
| language | English |
| last_indexed | 2024-04-11T14:31:33Z |
| publishDate | 2022-01-01 |
| publisher | EDP Sciences |
| record_format | Article |
| series | EPJ Web of Conferences |
| spelling | doaj.art-fe2a36df450e4258bd42cd8627f0b3592022-12-22T04:18:36ZengEDP SciencesEPJ Web of Conferences2100-014X2022-01-012720101610.1051/epjconf/202227201016epjconf_qens-wins2022_01016Complementary approaches to obtaining thermodynamic parameters from protein ligand systems-challenges and opportunitiesSarter Mona0Niether Doreen1Wiegand Simone2Fitter Joerg3Stadler Andreas M.4ISIS Neutron and Muon Facility, STFC Rutherford Appleton LaboratoryInstitute of Biological Information Processing (IBI-4: Biomacromolecular Systems and Processes) & JARA-SOFT, Forschungszentrum Jülich GmbHInstitute of Biological Information Processing (IBI-4: Biomacromolecular Systems and Processes) & JARA-SOFT, Forschungszentrum Jülich GmbHI. Physikalisches Institut (IA), AG Biophysik, RWTH AachenJülich Centre for Neutron Science (JCNS-1) and Institute of Biological Information Processing (IBI-8: Neutron Scattering and Soft Matter), Forschungszentrum Jülich GmbHProtein 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.https://www.epj-conferences.org/articles/epjconf/pdf/2022/16/epjconf_qens-wins2022_01016.pdf |
| spellingShingle | Sarter Mona Niether Doreen Wiegand Simone Fitter Joerg Stadler Andreas M. Complementary approaches to obtaining thermodynamic parameters from protein ligand systems-challenges and opportunities EPJ Web of Conferences |
| title | Complementary approaches to obtaining thermodynamic parameters from protein ligand systems-challenges and opportunities |
| title_full | Complementary approaches to obtaining thermodynamic parameters from protein ligand systems-challenges and opportunities |
| title_fullStr | Complementary approaches to obtaining thermodynamic parameters from protein ligand systems-challenges and opportunities |
| title_full_unstemmed | Complementary approaches to obtaining thermodynamic parameters from protein ligand systems-challenges and opportunities |
| title_short | Complementary approaches to obtaining thermodynamic parameters from protein ligand systems-challenges and opportunities |
| title_sort | complementary approaches to obtaining thermodynamic parameters from protein ligand systems challenges and opportunities |
| url | https://www.epj-conferences.org/articles/epjconf/pdf/2022/16/epjconf_qens-wins2022_01016.pdf |
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