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Data Access Data Deposition(Ingest) Data Publication Data Curation…
https://www.ccdc.cam.ac.uk/media/CCDC_online_Database_Workflow_v3.pdf17 Jan 2023: Data Access. Data Deposition(Ingest). Data Publication. Data Curation. Metadata and terms of deposition confirmed by the depositor. CIF, HKL and FCF data deposited via the CCDC deposition and validation service. Depositor’s responses to checks and -
1 pdb101.rcsb.or g • ccdc.cam.a c.uk Contents Get to ...
https://www.ccdc.cam.ac.uk/media/Rules-A4.pdf17 Jan 2023: 1. pdb101.rcsb.or. g • ccdc.cam.a. c.uk. Contents. Get to Know the Cards. Page 2. Bound! Game Instructions. Page 3. Memory Games. Page 4. Protein-Drug Binding Overview. Page 5. Learn more about Proteins and Drugs. Page 6. Target Audience: Ages 12 -
1 Table of Contents Try – it’s your turn! ...
https://www.ccdc.cam.ac.uk/media/CSDU-Mogul101-Try.pdf17 Jan 2023: Materials For this workshop we will use the file 1JR1_ligand.pdb that you can download from this link. -
Table of Contents Introduction…
https://www.ccdc.cam.ac.uk/media/Documentation/D9D5C8AA-0731-4012-AC68-4D2C0A324F58/protein-ligand-interactions-using-FIMs.pdf17 Jan 2023: Table of Contents Introduction. 2. Objectives. 2. Pre-required skills. 3. Example. Using Full Interaction Maps to analyse docking solutions. 3. Case Study. 3. Material. 4. Calculating FIMs in Mercury. 4. Hermes: Loading the protein-ligand complex. -
Table of Contents Pharmacophore Constraints in GOLD…
https://www.ccdc.cam.ac.uk/media/Documentation/0710126D-D4BC-438F-92F0-7D5074240033/GOLD-tutorial-PharmacophoreConstraints.pdf17 Jan 2023: Table of Contents Pharmacophore Constraints in GOLD. 2. Case Study. 3. Introduction. 3. Docking with GOLD without constraints. 5. Defining the Binding Site. 6. Selecting Ligand for Docking. 7. Analysing Docking Results. 10. Docking with -
Table of Contents Introduction…
https://www.ccdc.cam.ac.uk/media/Documentation/DC4CF234-A5EC-494B-BC93-936314D78BB7/CSD-CrossMiner-tutorial2-pharmacophore-query.pdf17 Jan 2023: our Downloads page. The supplied feature database contains a subset of the CSD and PDB. ... Note that the speed of the download depends on the quality of your network. -
Table of Contents Customising a Pharmacophore Search Using…
https://www.ccdc.cam.ac.uk/media/Documentation/2A214494-74D1-417A-849B-32B0F7F1C49F/Substructure_features_crossminer.pdf17 Jan 2023: Table of Contents Customising a Pharmacophore Search Using CSD-CrossMiner. 2. Objectives. 2. Material. 2. Case Study. 3. Introduction. 3. Viewing the query overlay. 4. Creating a new substructure to a feature definition. 5. Creating the -
Structure Outline
https://www.ccdc.cam.ac.uk/media/resources/fanwick-hydrogen-atoms-disorder-restraints-modulated-structure-occupancy-squeeze.pdf17 Jan 2023: http://www.molobs.caltech.edu/smallmol/download/public/shelx%20practicals_disorder.pdf. -
文件上传指南 当您准备上传 CIF 文件时请尽可能提供详细的信息并仔细检查，这对于没有具体论文阐述化合 物性质及实验细节的 CSD…
https://www.ccdc.cam.ac.uk/media/%E6%96%87%E4%BB%B6%E4%B8%8A%E4%BC%A0%E6%8C%87%E5%8D%97_guidelines_singleblock.pdf17 Jan 2023: 文件上传指南. 当您准备上传 CIF 文件时请尽可能提供详细的信息并仔细检查，这对于没有具体论文阐述化合. 物性质及实验细节的 CSD 通讯投稿尤其重要。如果您选择以 CSD -
Table of Contents Introduction…
https://www.ccdc.cam.ac.uk/media/Documentation/5DE3F364-D541-41FE-9332-CA6EF5BACAAE/SuperStar-tutorial-interaction-hotspots.pdf17 Jan 2023: Table of Contents Introduction. 2. Objectives. 2. Pre-required skills. 2. Materials. 2. Case Study. 3. Introduction. 3. Generate SuperStar Maps with the Hermes GUI. 4. Generating Propensity Maps using the Carbonyl Oxygen Probe. 4. Customising
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