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1 - 10 of 19 search results for `Download the files` |u:www.ccdc.cam.ac.uk

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  2. Case: Can I get access to structure factor data associated with a…

    https://www.ccdc.cam.ac.uk/support-and-resources/support/case/?caseid=36aa08d2-52a5-401f-804a-d278338df633
    The Access Structures service offers three options (Download Modes) for crystal data that may provide structure factor data if available:. ... download and hence make the download faster.

  3. Downloads ​ ​- The Cambridge…

    https://www.ccdc.cam.ac.uk/support-and-resources/downloads
    CSD MOF Collection. Download the CSD MOF Collection by clicking on the download link. ... water.pdb file. Contains the extracted water atoms. Note: to obtain the native protein and ligand files for the Non-native Set you will also need to download the

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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

  11. 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.

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