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- How to prepare a docking parameter file for AutoDock4 [1%] by rhuey, 2009-08-25 10:15
- This How-to addresses using the python script 'prepare_dpf4.py' to create a docking parameter file for AutoDock4. This docking parameter file specifies ...
- Why do the results differ when multiple dockings are done with the same input? [1%] by rhuey, 2009-07-06 11:18
- Multiple docking calculations are specified in a docking parameter file using one of the following keywords: 'ga_run', 'do_local_only' or 'runs' plus ...
- Force a non-rotatable bond to be considered rotatable in ADT [1%] by rhuey, 2008-10-28 16:47
- ADT discriminates between rotatable bonds and non-rotatable bonds during ligand preparation. If bonds are classified as rotatable when they should be ...
- Using AutoDock 4 for Virtual Screening [1%] by rhuey, 2008-01-29 06:49
- This teaches you not only how to use AutoDock 4 to perform virtual screening using AutoDock 4, but also a lot about using UNIX to organize and process large ...
- How can I determine if a bond is rotatable in a ligand pdbq(t) file [1%] by rhuey, 2007-08-01 11:31
- The flexibility pattern for a ligand is encoded in its written pdbq(t) file by the inclusion of specific AutoDock keywords ROOT/ENDROOT, BRANCH/ENDBRANCH. ...
- Which library should I use for virtual screening? [1%] by rhuey, 2007-07-19 17:57
- There are a variety of libraries that can be used for screening, which one should I use?
- How to prepare a text summary of a directory of AutoDock4 docking results [1%] by rhuey, 2007-12-07 19:23
- This How-to explains how to use the python script "summarize_results4.py" to create a text file which summarizes the results of all the AutoDock4 log files in ...
- How to prepare a flexible residue file for AutoDock4 [1%] by rhuey, 2007-08-27 14:22
- This How-to explains how to use the python script "prepare_flexreceptor4.py" to create two input receptor files for AutoDock4, one containing the rigid ...
- How to prepare a docking parameter file for AutoDock4 [1%] by rhuey, 2007-08-27 14:21
- This How-to addresses using the python script 'prepare_dpf4.py' to create a docking parameter file for AutoDock4. This docking parameter file specifies the ...
- How to prepare a grid parameter file for AutoGrid 4 [1%] by rhuey, 2007-08-27 14:19
- This How-to addresses using the python script 'prepare_gpf4.py' to create a grid parameter file for AutoGrid4. This grid parameter file specifies the 3D ...
- How to prepare a receptor file for AutoDock4 [1%] by rhuey, 2007-08-27 14:16
- This How-to addresses using the python script 'prepare_receptor4.py' to format a receptor file for AutoDock4. Input files for this script can be in pdb, pdbq, ...
- How to prepare a ligand file for AutoDock 4 [1%] by rhuey, 2007-08-27 14:17
- This How-to explains how to use the Python script 'prepare_ligand4.py' to format a ligand file for AutoDock 4. Input files for this script can be in PDB, ...
- rhuey [1%] by rhuey, 2006-08-29 08:16
AutoDock Vina 1.0 released!