DockVision houses all of the algorithms you need and all
of the tools you want within one easy-to-use graphical interface.
Working scientists wrote the program, tailoring it to suit the
specific needs of those specializing in ligand - protein interaction.
Working scientists use the program, and applaud both DockVision's
interface and DockVision's results.
DockVision incorporates all of the following elements.
Click on the link to get a full description of the feature.
DockVision's Graphical User Interface(GUI)
DockVision's GUI is easy to master.
The most time-consuming
aspect of incorporating a new application into a lab structure is the
time required to learn how to use the new software. With DockVision,
this time is reduced significantly.
DockVision's efficacious Graphical User Interface guides you
effortlessly through docking simulations, drastically decreasing
your learning curve and immediately increasing your
DockVision's GUI is easy to work with.
automates all the tedious, time-consuming charge assignment and
grid generation steps, while conferring you with absolute
control of all operations at all times. DockVision's Tools enable
you to interact with your data while your plot is in progress,
enhancing your ability to multitask without the need to juggle.
For a closer look at the DockVision GUI, take the DockVision
Easy to learn, easy to use : DockVision lets you concentrate on results.
Other docking programs cannot offer you the innovative
multi-algorithmic approach that is incorporated into DockVision.
You not only have access to the Monte
Carlo docking engine, but also to the new Genetic
Algorithm docking engine. For ligand database screening,
ReSearch DataBase has
proven an indispensible tool to users.
DockVision Algorithm : Research
The Research docking algorithm follows the Monte Carlo
method. Ligand positions near the active site are randomly generated and
optimized successively with a random procedure, allowing for increases
and decreases in interaction energy with the protein. This procedure is
repeated many times, finally achieving a full sampling of possibilities
for the binding site.
DockVision Algorithm : Gamma
Gamma is the second phase docking algorithm in DockVision. It
is based upon the Genetic Algorithm evolutionary computing method.
First, alternative ligand positions and conformations are generated, forming
an initial population of solutions. The initial population is then evolved,
meaning that only the "most fit" or lowest energy ligand positions survive
into the next generation. Then, new "individuals" or ligand states are
generated through mutation and crossover. With each successive generation,
"more evolved" or lower energy ligand positions are produced, thereby finally
achieving the "most evolved" or lowest energy binding modes.
DockVision Algorithm : ReSearch DataBase
ReSearch DataBase is specifically designed to enable you to quickly
and effectively screen large ligand databases for possible fits.
DockVision Real Time Analysis Tools
DockVision also includes a wide variety of Real Time analysis tools in
its interface. The Tools allow you to interact with your data, even
while the program is contemplating your plot. This means that you are able
to request and view RMS, energy histograms, and statistics with your
docking run in progress.
Click on this image to get a full screen view of an energy
histogram generated by DockVision
Click on this image to get a full screen view of the statistics
generated by DockVision during a docking run.
Click on this image to get a full screen view of an RMS deviation
DockVision enables you to work more effectively and more readily with
your data. Not only will this increase your productivity, it will also
enhance your ability to multitask and eliminate the time you might have
spent waiting for results.
DockVision has recognized the need for a multi-faceted approach to
the docking problem. DockCam 3D provides you with a three-dimensional
wire-frame representation of the active site, allowing you to inspect
your dock visually. DockCam gives you the ability to examine
dockings, check conformers, and view protein-ligand contacts.
With the fully integrated DockCam 3D viewer tool, you have an
immediate view into your active site.
Following is an image generated by DockCam 3D.
DockCam gives you accurate, visually comprehensible, colour-coded
3D images of your active sites. This will not only facilitate your
research, but enhance your presentations and papers as well.
Visit the DockVision Gallery to see docking
shots captured using Grasp
Copyright© 1998 DockVision
Inc. All rights reserved. Last Updated May 8, 1998