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Appendix F: GOLD Tutorials
- In order to familiarise yourself with GOLD it is recommended that you work through the tutorial examples provided. Tutorial 1 will go through the process of setting up and running an example docking in some detail, subsequent tutorials will be more concise but will introduce other, more advanced, aspects of the program.
- For the purpose of these tutorials it is assumed that the user has access to either SILVER or GoldMine (supplied with GOLD) or another visualisation program (for instructions on how to use either package, refer to the relevant User Guide). In addition, if you wish to set up your own protein and ligand input files ((see Section 3.1) and (see Section 4.1)) then you will need access to a molecular modelling program. Full details of the software requirements needed in order to use GOLD are given elsewhere (see Section 1.).
- Please note: due to the non-deterministic nature of GOLD results may vary from those described in the tutorials.
Tutorial 1: A Step-By-Step Guide to Using GOLD
Tutorial 2: Handling of Metals in GOLD
Tutorial 3: Use of Hydrogen Bonding Constraints
Tutorial 4: Use of Substructure Based Distance Constraints
Tutorial 5: Docking with Water in the Binding Site
Tutorial 6: Docking with a Flexible Side Chain
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