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Table of Contents Docking with Water in the Binding ...
https://www.ccdc.cam.ac.uk/media/Documentation/4DDADBC4-A645-4E44-AD37-73D09F04C298/GOLD-DockingWater-tutorial.pdf17 Jan 2023: Materials For this workshop we will use the files that you can download from here. ... Here, we will illustrate the requirements for setting up and running docking with active water. -
Introduction to the CSD Python API (PYAPI-001) 2020.3 CSD ...
https://www.ccdc.cam.ac.uk/media/Documentation/6AA69486-FA98-4182-84F9-50A586CC0B04/CSD-Python-API-workshop.pdf17 Jan 2023: Materials. For this workshop you will need the file example.cif that you can download here. ... the CSD entry AABHTZ. Here we are editing the script to simply read out some further attributes. -
Table of Contents Introduction…
https://www.ccdc.cam.ac.uk/media/Documentation/E8327590-2CDF-40AF-8092-28B67E58BE72/Ligand_Based_Virtual_Screening_Tutorial.pdf17 Jan 2023: and enrichment metrics will be calculated. Please download the example files here. ... so far, this is not appropriate. Here we will generate some possible overlays.
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