136 A Practical Guide to Cancer Systems Biology
(a)(b)Figure 5. Download DrugBank database. (a) Entrance page. (b) Database download
page.
Materials
- (None)
Procedure
I. Open your browser and navigate to official site of DrugBank by using its
url (http://www.drugbank.ca/), or search “DrugBank” in your search
engine.
II. Find and click on the “Download” button on the top of the website
screen (Fig. 5(a)).
III. Now you are in the download page. You may find a tabbed panel under
the text “Please read our terms surrounding use and distribution of the
DrugBank database”. Currently you are in “Full database” tab. Please
switch to “Structures” tab.
IV. You may find a list of available subsets for download. Please select the
one suitable for your needs (Fig. 5(b)).
We recommend you to use Approved Drugs set if you want to find new
use of those old but approved drugs.
- Running docking simulation with Autodock Vina
In this section, we will tell you how to run docking simulation with Autodock
Vina. Since Autodock Vina operates in command-line mode (i.e., you should
use command prompt in Microsoft Windows or terminal applications such
as Konsole or GNOME terminal in GNU/Linux), you should possess some
knowledge of basic file-related operations under text mode.