Knowledge-based Optimization of Protein-Ligand-Complex Geometries

Knowledge-based Optimization of Protein-Ligand-Complex Geometries

The aim of this work was to develop a tool to optimize insilico generated protein-ligand complexes according to DrugScore (DS) potentials. DS is typically used to rescore ligand geometries that were generated by docking. Thus, these poses are optimized according to the scoring function used by the s...

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Detaylı Bibliyografya
Yazar: Spitzmüller, Andreas
Diğer Yazarlar: Klebe, Gerhard (Prof. Dr.) (Tez danışmanı)
Materyal Türü: Dissertation
Dil:İngilizce
Baskı/Yayın Bilgisi: Philipps-Universität Marburg 2011
Konular:
Protein-Ligand Komplex
Knowledge-based System
Docking
Scoring
Naturwissenschaften
Optimization
Optimierung
Arzneimitteldesign
Wissensbasiertes System
Drug Design
Protein-Ligand Docking
Natural sciences & mathematics
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Detaylı Erişim Bilgileri
Yer Numarası: urn:nbn:de:hebis:04-z2011-04581
Yayın Tarihi: 2011-08-08
Datum der Annahme: 2011-07-13
Downloads: 122 (2024), 95 (2023), 144 (2022), 193 (2021), 203 (2020), 225 (2019), 166 (2018)
Lizenz: https://rightsstatements.org/vocab/InC-NC/1.0/
Erişim Adresi URL: https://archiv.ub.uni-marburg.de/diss/z2011/0458
https://doi.org/10.17192/z2011.0458

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