Full Text Available
Note: Clicking the button above will open the full text document at the original institutional repository in a new window.
Revisiting and re-computing the X-score scoring function
Includes bibliographical references.
Saved in:
| Main Author: | |
|---|---|
| Other Authors: | |
| Format: | Thesis |
| Language: | English |
| Published: |
Division of Medical Biochemistry
2015
|
| Subjects: | |
| Tags: |
No Tags, Be the first to tag this record!
|
| _version_ | 1867614008276680704 |
|---|---|
| access_status_str | Open Access |
| author | Mambo, Hilaire Mobele |
| author2 | Blackburn, Jonathan |
| author_browse | Blackburn, Jonathan Mambo, Hilaire Mobele |
| author_facet | Blackburn, Jonathan Mambo, Hilaire Mobele |
| author_sort | Mambo, Hilaire Mobele |
| collection | Thesis |
| description | Includes bibliographical references. |
| format | Thesis |
| id | oai:open.uct.ac.za:11427/13338 |
| institution | University of Cape Town (South Africa) |
| language | eng |
| last_indexed | 2026-06-10T12:45:12.654Z |
| license_str | Not specified — see source repository |
| provenance_str_mv | Harvested via OAI-PMH from UCTD — University of Cape Town Open Access Repository |
| publishDate | 2015 |
| publishDateRange | 2015 |
| publishDateSort | 2015 |
| publisher | Division of Medical Biochemistry |
| publisherStr | Division of Medical Biochemistry |
| record_format | dspace |
| source_str | UCTD — University of Cape Town Open Access Repository |
| spelling | oai:open.uct.ac.za:11427/13338 Revisiting and re-computing the X-score scoring function Mambo, Hilaire Mobele Blackburn, Jonathan Bioinformatics Includes bibliographical references. Scoring functions seek to compute in different ways protein-ligand binding energies by summing together the individual pairwise atomic interaction energies observed in crystal structures between the protein and the bound ligand. To date though, accurate prediction remains a big challenge since existing scoring functions fail to reproduce known binding energies with a sufficient degree of accuracy and robustness. To overcome this problem, we assign a discrete weighting to the individual atomic interaction to account for entropic desolvation factors on ligand binding. We thereafter re-compute the revised scoring function and test the output against multiple sets of data to examine the robustness of the heuristic weightings used. 2015-07-03T08:29:31Z 2015-07-03T08:29:31Z 2014 Master Thesis Masters MSc (Med) http://hdl.handle.net/11427/13338 eng application/pdf Division of Medical Biochemistry Faculty of Health Sciences University of Cape Town |
| spellingShingle | Bioinformatics Mambo, Hilaire Mobele Revisiting and re-computing the X-score scoring function |
| thesis_degree_str | Master's |
| title | Revisiting and re-computing the X-score scoring function |
| title_full | Revisiting and re-computing the X-score scoring function |
| title_fullStr | Revisiting and re-computing the X-score scoring function |
| title_full_unstemmed | Revisiting and re-computing the X-score scoring function |
| title_short | Revisiting and re-computing the X-score scoring function |
| title_sort | revisiting and re computing the x score scoring function |
| topic | Bioinformatics |
| url | http://hdl.handle.net/11427/13338 |
| work_keys_str_mv | AT mambohilairemobele revisitingandrecomputingthexscorescoringfunction |