Difference between revisions of "2016 DOCK tutorial with Beta Trypsin"
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For additional Rizzo Lab tutorials see [[DOCK Tutorials]]. Use this link [http://www.mediawiki.org/wiki/Help:Formatting Wiki Formatting] as a reference for editing the wiki. This tutorial was developed collaboratively by the AMS 536 class of 2014, using DOCK v6.6. | For additional Rizzo Lab tutorials see [[DOCK Tutorials]]. Use this link [http://www.mediawiki.org/wiki/Help:Formatting Wiki Formatting] as a reference for editing the wiki. This tutorial was developed collaboratively by the AMS 536 class of 2014, using DOCK v6.6. | ||
| − | ==I. Introduction== | + | ==I. Introduction== Yaping She |
===DOCK=== | ===DOCK=== | ||
| Line 11: | Line 11: | ||
| − | ===Organizing Directories=== | + | ===Organizing Directories=== |
| − | ==II. Preparing the Receptor and Ligand== | + | ==II. Preparing the Receptor and Ligand== Beilei Jiang |
| − | ==III. Generating Receptor Surface and Spheres== | + | ==III. Generating Receptor Surface and Spheres== Lauren Prentis |
| Line 30: | Line 30: | ||
| − | ==IV. Generating Box and Grid== | + | ==IV. Generating Box and Grid== Monaf Awwa |
| Line 41: | Line 41: | ||
| − | ==V. Docking a Single Molecule for Pose Reproduction== | + | ==V. Docking a Single Molecule for Pose Reproduction== Agatha Lyczek & Haoyue Giuo |
| Line 61: | Line 61: | ||
| − | ==VI. Virtual Screening== | + | ==VI. Virtual Screening== Katie Maffucci |
===DOCK Preparation=== | ===DOCK Preparation=== | ||
Revision as of 12:09, 9 March 2016
For additional Rizzo Lab tutorials see DOCK Tutorials. Use this link Wiki Formatting as a reference for editing the wiki. This tutorial was developed collaboratively by the AMS 536 class of 2014, using DOCK v6.6.
==I. Introduction== Yaping She
Contents
DOCK
Beta Trypsin
Organizing Directories
==II. Preparing the Receptor and Ligand== Beilei Jiang
==III. Generating Receptor Surface and Spheres== Lauren Prentis
Generating the Receptor Surface
Placing Spheres
==IV. Generating Box and Grid== Monaf Awwa
Box Generation
Grid computing
==V. Docking a Single Molecule for Pose Reproduction== Agatha Lyczek & Haoyue Giuo
Minimization
Rigid docking
Flexible Docking
==VI. Virtual Screening== Katie Maffucci
