Linux.com

AutoDock

Image
Works With Distributions
  • Debian
  • Fedora
  • Mandriva
  • openSUSE
  • Red Hat Enterprise Linux
  • SUSE Enterprise Linux
  • Ubuntu
  • Xandros
Specifications
AutoDock is a suite of automated docking tools. It is designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure. ** AutoDock actually consists of two main programs: AutoDock performs the docking of the ligand to a set of grids describing the target protein; AutoGrid pre-calculates these grids. ** In addition to using them for docking, the atomic affinity grids can be visualised. This can help, for example, to guide organic synthetic chemists design better binders. ** They have also developed a graphical user interface called AutoDockTools, or ADT for short, which amongst other things helps to set up which bonds will treated as rotatable in the ligand and to analyze dockings. ** AutoDock has applications in: * X-ray crystallography; * structure-based drug design; * lead optimization; * virtual screening (HTS); * combinatorial library design; * protein-protein docking; * chemical mechanism studies
Hits
3123
Votes
0

New Directory Listings

Hubstaff
Category: Applications
Image:
Binfer. Secure...
Category: Software
Image:
Advanced Gtk+ Sequencer
Category: Applications
Image:
Show more...

Upcoming Linux Foundation Courses

  1. LFD331 Developing Linux Device Drivers
    13 Oct » 17 Oct - Virtual
    Details
  2. LFS425 Linux Performance Tuning Crash Course
    16 Oct » 16 Oct - Düsseldorf, Germany
    Details
  3. LFS220 Linux System Administration
    20 Oct » 23 Oct - Virtual
    Details

View All Upcoming Courses

Featured Linux Video

More Linux Videos

Become an Individual Member
Check out the Friday Funnies

Search Directory

Sign Up For the Linux.com Newsletter


Who we are ?

The Linux Foundation is a non-profit consortium dedicated to the growth of Linux.

More About the foundation...

Frequent Questions

Join / Linux Training / Board