Development and Improvement of Tools and Algorithms for the Problem of Atom Type Perception and for the Assessment of Protein-Ligand-Complex Geometries

Neudert, Gerd

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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Detaylı Bibliyografya
Yazar:	Neudert, Gerd
Diğer Yazarlar:	Klebe, Gerhard (Prof. Dr.) (Tez danışmanı)
Materyal Türü:	Dissertation
Dil:	İngilizce
Baskı/Yayın Bilgisi:	Philipps-Universität Marburg 2012
Konular:	Scoring functions Molekulare Bioinformatik Medizin Bewertungsfunktionen Wirkstoffdesign Molekulardesign Drug design Medical sciences Medicine
Online Erişim:	PDF Tam Metin
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Development and Improvement of Tools and Algorithms for the Problem of Atom Type Perception and for the Assessment of Protein-Ligand-Complex Geometries

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