2016 DOCK tutorial with Beta Trypsin
From Rizzo_Lab
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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
