Drug design

In this chapter you will find a description of the different options the CLC Drug Discovery Workbench offers for studying, visualizing, and manipulating molecule structures and properties as well as modeling protein-ligand complexes.

Basically, there are two ways to work with your molecules; you can either look at the 3D structure of the molecules in a Molecule Project or in table format in a Molecule Table.

The Molecule Project is accompanied by the Project Tree, which is found in the Side Panel. The Project Tree is a tree view of all molecules available in the 3D view, and this tree view gives access to a range of functionalities that can be used when visualizing and studying the molecules.

Molecule Tables can be used to store a large number of molecules together, like e.g. a screening library. The table can be connected to a Molecule Project view, to inspect and manipulate individual molecules in 3D.

Molecule structures can be imported in seven different ways, as described in Import Molecules.

Tutorials are available that can introduce you to the workbench and guide you through the main applications. The tutorials can be found from the menu bar Help | Tutorials or downloaded in pdf-version from the web http://www.qiagenbioinformatics.com/support/tutorials/.


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