Published November 28, 2024 | Version v1
Dataset Open

Dataset for Pharmacophore-based virtual screening study to identify carbazole-based inhibitors of Topoisomerase I and Topoisomerase II.

Authors/Creators

  • 1. ROR icon Central University of Punjab
  • 2. ROR icon University of Gothenburg
  • 3. ROR icon University of Bradford

Description

Docked structures and BPMD and MD simulations trajectories (obtained using Glide and Desmond in Schrödinger), for top 20 carbazole containing inhibitors towards Topo-I and Topo-II. 

Files

Docking.zip

Files (40.2 GB)

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md5:658e882116670543d37c2ff0da1a6014
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