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  2. Table of Contents Introduction…

    https://www.ccdc.cam.ac.uk/media/CSDC-Deposition.pdf
    6 Jun 2023: These files can be obtained from our website. You will need a CCDC account to download the files. ... 4. Click Retrieve Deposited Files; this will allow you to download a zip file.
  3. Table of Contents Introduction…

    https://www.ccdc.cam.ac.uk/media/Introduction-to-IsoStar.pdf
    13 Jun 2023: PDB? 12. Go back to the IsoStar website and download the phenyl group information. ... You should now be able to:. • Locate and download CSD, PDB and Theory IsoStar files from the IsoStar web server. •
  4. Table of Contents Introduction…

    https://www.ccdc.cam.ac.uk/media/CSDC-AccessStructures.pdf
    9 Jun 2023: WCSD-001. Example 4. Downloading Access Structures allows the download of CIF files, checkCIF reports and gcd files. ... Download options from initial results page These steps will show you how to download one or more different CIF files from the initial
  5. Table of Contents Introduction…

    https://www.ccdc.cam.ac.uk/media/Introduction-to-Hermes.pdf
    13 Jun 2023: Materials For this workshop we will use the files that you can download from here. ... Opening Files in Hermes 1. Launch Hermes by clicking the icon (on macOS, double click on hermes.app).
  6. Table of Contents Try – it’s your turn!…

    https://www.ccdc.cam.ac.uk/media/GOLD-101_handout-1.pdf
    17 Jan 2023: Materials For this workshop we will use the files that you can download from here. ... Provided Input Files. Please download and unzip the input files from this link.
  7. Table of Contents Introduction…

    https://www.ccdc.cam.ac.uk/media/Searching_CSD_with_WebCSD.pdf
    20 Dec 2023: WCSD-002. 8. 20. Click Download at the bottom of the results list to download entries as CIF files or as a GCD file, which allows you to load the CSD ... 21. Click Download Parameter Data to download the 3D information gathered.
  8. Table of Contents Protein-ligand docking with GOLD…

    https://www.ccdc.cam.ac.uk/media/Intro-Protein-Ligand-Docking-GLD-001.pdf
    17 Jan 2023: Materials For this workshop we will use the files that you can download from here. ... Provided Input Files. Please download and unzip the input files from this link.
  9. Table of Contents Introduction…

    https://www.ccdc.cam.ac.uk/media/Documentation/DA3F7A65-A1A6-4C12-AA68-8157ACD1B017/Intro-to-Hermes-tutorial.pdf
    17 Jan 2023: Material Please download the following folder and extract all files (including 2w5y.pdb). ... HERM-001 3. Visualising and Editing the MLL1 fusion protein Opening Files in Hermes 1.
  10. 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.pdf
    17 Jan 2023: sphere. GLD-006 6. Provided Input Files. Download the files from the link provided in the Materials section on page 3. • ... If you have not already, download the files from the link provided in the Materials section on page 3.
  11. Table of Contents The Purpose of…

    https://www.ccdc.cam.ac.uk/media/Documentation/F660721C-0B58-48E6-A8AE-76DD0803FC3D/GOLD-tutorial-PosePrediction.pdf
    17 Jan 2023: Please download the example folder of input files. Is this an easy docking? ... MLL1 complexed to SAH cofactor, PDB-code: 2w5y. Download Input Files examples.
  12. 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.
  13. 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
  14. 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.
  15. 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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