Performance of docking strategies in the enrichment of fragment-like inhibitors of indoleamine 2,3-dioxygenase

Background: Virtual screening of compound libraries by molecular docking can help narrow down a large list of compounds to a more manageable size for testing. Fitness functions within molecular docking programme's software calculate how a compound fits the target site of the protein and assigns...

Ausführliche Beschreibung

Gespeichert in:

Bibliographische Detailangaben
Veröffentlicht in:	European journal of cancer (1990) 2016-12, Vol.69, p.S80-S80
Hauptverfasser:	Fung, S, Squire, C, Ching, L.M, Flanagan, J
Format:	Artikel
Sprache:	eng
Schlagworte:	Benzothiazole Binding Enrichment Enzymes Fitness Fluorimetry Fragmentation Gold Hematology, Oncology and Palliative Medicine Immunoregulation Inhibitors Libraries Medical screening Molecular chains Molecular docking Naphthalene Parameters Physical fitness Protein structure Proteins Tryptophan 2,3-dioxygenase Virtualization
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!

Schreiben Sie den ersten Kommentar!