An in silico tool to predict Shigella serotypes
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Updated
May 2, 2024 - Shell
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insilico-prediction
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MolPro is a comprehensive python package for small molecule generation using protein active site or/and similar molecules using 3D information of molecules with in-silico validation of molecules by docking , pharmacophore hypothesis. Also off target prediction based on the binding site similarities.
python
deep-neural-networks
docking
drug-design
pharmacophore-modelling
binding-affinity
insilico-prediction
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Updated
Apr 16, 2022 - Python
A combination of 4 in silico metabolite prediction tools. Developed for toxicological studies, but applicable to other fields.
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Updated
Nov 12, 2024 - Shell
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