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11 - 14 of 14 search results for `download the files` |u:www.ccdc.cam.ac.uk

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  2. Table of Contents Ensemble Docking…

    https://www.ccdc.cam.ac.uk/media/Documentation/0D5504D3-81F2-46D3-9D1D-16787D07F70B/GOLD-tutorial-EnsembleDocking.pdf
    17 Jan 2023: not treat the set in any kind of ‘averaged’ capacity. Please download the tutorial input files here. ... guidelines for the preparation of input files (Setting Up the Protein(s) and.

  3. Table of Contents Purpose of Docking…

    https://www.ccdc.cam.ac.uk/media/Documentation/EE9787F1-9256-4A91-8264-95371DCD8008/GOLD-tutorial-Flexibility-Constraints.pdf
    17 Jan 2023: Please download the example files for this tutorial. You will balance flexibility and constraints in two separate docking experiments trying to predict the poses of:. • ... confidence about key interactions. Download Input Files examples. 6. Your

  4. Table of Contents Introduction…

    https://www.ccdc.cam.ac.uk/media/Documentation/E8327590-2CDF-40AF-8092-28B67E58BE72/Ligand_Based_Virtual_Screening_Tutorial.pdf
    17 Jan 2023: and enrichment metrics will be calculated. Please download the example files here. ... 22 query and write out the resulting screening_molecules and screening_scores files.

  5. GOLD User Guide

    https://www.ccdc.cam.ac.uk/media/Documentation/0C5D99BC-7CC3-49B6-8319-06BEA8CA342D/GOLD_User_Guide_2020_1.pdf
    17 Jan 2023: Description of Output Files. Files Containing the Initialised Protein and Ligand. ... The files will have. names of the type 6AY6_HOH601.mol2. Once you have extracted the important waters, all other waters.

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