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1 - 10 of 11 search results for `Please download` |u:www.ccdc.cam.ac.uk

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  2. 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.

  3. 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.

  4. 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).

  5. 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. ... ligands for docking calculations. If not, please refer to the following sections of.

  6. 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:. • ... Please refer to the GOLD_Pose_Prediction_MLL1 document, page 13, for more

  7. 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? ... You can download the “Re-refined and rebuilt structure”, 2w5y_final.pdb, from PDB-REDO for comparison.

  8. 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. ... Please bear in mind that here we have done a retrospective analysis where.

  9. Table of Contents UTry – it’s your…

    https://www.ccdc.cam.ac.uk/media/WebCSD_CSDU_UTry.pdf
    25 Jan 2024: Please contact your site administrator for further information. Materials Download the MOL file for nirmatrelvir here. ... Download the MOL file from here if you have not already done so.

  10. Latest Updates in CCDC Software and Data | CCDC

    https://www.ccdc.cam.ac.uk/solutions/whats-new/
    9 May 2024: There will be a new step to download databases. Please contact support@ccdc.cam.ac.uk to request a unique set of credentials. ... Please contact our support team if you have any questions about updating.

  11. Lego, Chocolate and Polymorphs | CCDC

    https://www.ccdc.cam.ac.uk/community/education-and-outreach/outreach/home-learning-activities/lego-chocolate-and-polymorphs/
    9 May 2024: Please, ask an adult to download it from this webpage. ... If, however, you intend to do so to speed up the melting process, please do only when children are under adult supervision.

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