SkeleDock: A Web Application for Scaffold Docking in PlayMolecule

SkeleDock is a scaffold docking algorithm which uses the structure of a protein-ligand complex as a template to model the binding mode of a chemically similar system. This algorithm was evaluated in the D3R Grand Challenge 4 pose prediction challenge, where it achieved competitive performance. Furth...

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Veröffentlicht in:	Journal of chemical information and modeling 2020-06, Vol.60 (6), p.2673-2677
Hauptverfasser:	Varela-Rial, Alejandro, Majewski, Maciej, Cuzzolin, Alberto, Martínez-Rosell, Gerard, De Fabritiis, Gianni
Format:	Artikel
Sprache:	eng
Schlagworte:	Algorithms Applications programs Binding Coordination compounds Crystallization Docking Ligands Scaffolds
Online-Zugang:	Volltext
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