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Latest Updates in CCDC Software and Data | CCDC
https://www.ccdc.cam.ac.uk/solutions/whats-new/25 Jul 2024: the Downloads page here, and this download will contain the latest data update. ... There will be a new step to download databases. Please contact support@ccdc.cam.ac.uk to request a unique set of credentials. -
Lego, Chocolate and Polymorphs | CCDC
https://www.ccdc.cam.ac.uk/community/education-and-outreach/outreach/home-learning-activities/lego-chocolate-and-polymorphs/25 Jul 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. -
Table of Contents UTry – it’s your…
https://www.ccdc.cam.ac.uk/media/WebCSD_CSDU_UTry.pdf25 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. -
Identikit of Common Substances | CCDC
https://www.ccdc.cam.ac.uk/community/education-and-outreach/outreach/home-learning-activities/identikit-of-common-substances/25 Jul 2024: Please, ask an adult to download collectable virtual badge for this activity from this webpage. ... Please read this document well, before starting the activity. Pick a refcode and search the CSD: The list of refcodes of the substances under investigation -
Table of Contents Try – it’s your turn!…
https://www.ccdc.cam.ac.uk/media/GOLD-101_handout-1.pdf17 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. -
Table of Contents Protein-ligand docking with GOLD…
https://www.ccdc.cam.ac.uk/media/Intro-Protein-Ligand-Docking-GLD-001.pdf17 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. -
Table of Contents Introduction…
https://www.ccdc.cam.ac.uk/media/Documentation/DA3F7A65-A1A6-4C12-AA68-8157ACD1B017/Intro-to-Hermes-tutorial.pdf17 Jan 2023: Material Please download the following folder and extract all files (including 2w5y.pdb). -
Table of Contents Ensemble Docking…
https://www.ccdc.cam.ac.uk/media/Documentation/0D5504D3-81F2-46D3-9D1D-16787D07F70B/GOLD-tutorial-EnsembleDocking.pdf17 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. -
Table of Contents Purpose of Docking…
https://www.ccdc.cam.ac.uk/media/Documentation/EE9787F1-9256-4A91-8264-95371DCD8008/GOLD-tutorial-Flexibility-Constraints.pdf17 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 -
Table of Contents The Purpose of…
https://www.ccdc.cam.ac.uk/media/Documentation/F660721C-0B58-48E6-A8AE-76DD0803FC3D/GOLD-tutorial-PosePrediction.pdf17 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.
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