Methods for the Efficient Comparison of Protein Binding Sites and for the Assessment of Protein-Ligand Complexes

Methods for the Efficient Comparison of Protein Binding Sites and for the Assessment of Protein-Ligand Complexes

In the present work, accelerated methods for the comparison of protein binding sites as well as an extended procedure for the assessment of ligand poses in protein binding sites are presented. Protein binding site comparisons are frequently used receptor-based techniques in early stages of the dr...

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Bibliographische Detailangaben
1. Verfasser: Krotzky, Timo
Beteiligte: Klebe, Gerhard (Prof. Dr.) (BetreuerIn (Doktorarbeit))
Format: Dissertation
Sprache:Englisch
Veröffentlicht: Philipps-Universität Marburg 2015
Schlagworte:
Graph
Cavbase
Bindestelle
Classification
Proteine
Medizin
Klassifizierung
Histogramm
Wirkstoff
Clique
Medical sciences Medicine
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