Automated molecular binding site exploration with Moldrug algorithm (SI)

Supporting informaiton for the paper Automated molecular binding site exploration with Moldrug algorithm Here are uploaded all files, instructions and data to reproduce the results (including images and analysis) of the paper. Installation of the environment conda create -n moldrug-paper python=&quo...

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Bibliographische Detailangaben

Hauptverfasser:	Martínez León, Alejandro, Ries, Benjamin, Hub, Jochen S., Magarkar, Aniket
Format:	Dataset
Sprache:	eng
Schlagworte:	Cheminformatics Small Molecule Drug Design
Online-Zugang:	Volltext bestellen
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