Development and Improvement of Tools and Algorithms for the Problem of Atom Type Perception and for the Assessment of Protein-Ligand-Complex Geometries
In context of the present work, a scoring function for protein-ligand complexes has been developed, not aimed at affinity prediction, but rather a good recognition rate of near native geometries. The developed program DSX makes use of the same formalism as the knowledge-based scoring function DrugSc...
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Format: | Dissertation |
Sprache: | Englisch |
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Philipps-Universität Marburg
2012
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Online Zugang: | PDF-Volltext |
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PDF-VolltextSignatur: |
urn:nbn:de:hebis:04-z2012-01614 |
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Publikationsdatum: |
2012-02-16 |
Datum der Annahme: |
2012-01-27 |
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https://rightsstatements.org/vocab/InC-NC/1.0/ |
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https://archiv.ub.uni-marburg.de/diss/z2012/0161 https://doi.org/10.17192/z2012.0161 |