Published September 9, 2021
| Version v1
Software
Open
Docking post-processing: Interaction frequency among multiple-cluster conformers
Creators
- 1. Departamento de Farmacología, Facultad de Ciencias Biológicas, Universidad de Concepción
Description
KMNIME workflow to analyze the frequency of receptor-ligand interactions on a set of poses from different clusters. We use scripts included on Schrödinger Suit (v.2020-3) to calculate the interactions on every pose and a in-house functional workflow built on Knime to get the frequency of interactions on each cluster and then sum the total.
Files
Files
(118.2 kB)
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