Search

17 Jan 2023: Materials For this workshop we will use the file 1JR1_ligand.pdb that you can download from this link.

17 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

17 Jan 2023: The images present on the cards were realised using Mercury. A f ree version of this software is available to download f rom the CSD Community webpage.

17 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.

17 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

17 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.

17 Jan 2023: http://www.molobs.caltech.edu/smallmol/download/public/shelx%20practicals_disorder.pdf.

17 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

17 Jan 2023: Material Please download the following folder and extract all files (including 2w5y.pdb).

17 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