Hi Dave,
You can read the publications of comparison of methods associated with
softwares. e.g. docking methods/tools are compared with some datasets.
Best wishes,
Prasanna
91-9823161187
India
On Wed, 19 Dec 2007 Dave.ccl_list~~giantscience.com wrote :
>
>Sent to CCL by: "Dave ." [ccl_list,,giantscience.com]
>I'm in the process of setting up a new modeling research lab at MIT
(academic lab). I'm trying to put together a budget for modeling software we'll
want to purchase for the coming year. We will be part of a drug design effort,
so we'll be doing the standard stuff associated with such an effort
(visualization of ligands and proteins, docking, scoring [binding, ADME], etc.)
We expect to have a lot of compounds/data flowing through via library
screening.
>
>The software we already have access to (free to us) includes the MOE
package, Pipeline Pilot, and the complete CambridgeSoft suite.
>
>The question is: What software should I budget purchasing? I was
considering, in particular, the Schrodinger stuff. The quote I got was
$11,500/year for a single license for their suite, or $5000/year for 20
"tokens", that will allow me to run run 3-4 of their programs
simultaneously. Any suggestions/comments on this pricing and which option is
preferable?
>
>I'd like to bring in Insight, because that's the program I've used for
visualization for a long time, but I've heard that Accelrys' pricing is not too
academic friendly.
>
>Alternatively, I can bring in the academic (nearly) freeware: Amber, Dock,
Modeler, PyMol, etc. Of course, then you don't get the nice(r) integration of
stuff like Schrodinger.
>
>I'm open to hearing alternatives, yes/nos, etc. We can definitely put money
in the budget for modeling software. I just don't want to toss money into the
street unnecessarily.
>
>
>
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