Comparative review?

Ted edh.spam.eater at nsm.umass.edu
Mon Jan 8 21:01:19 EST 2001


Hi.  Could anyone recommend molec modeling software that could
reasonably handle peptides and interactions between them (as well as
other user defined bio molecules)?  Preferably, the software would be
written in C or C++, and the source code would be available (I'll
probably want to tinker with it).  Executables should run under Win98
(though I do have a compiler).  The software should be low cost; at the
very least, a demo should be available.

Determining association and dissociation rates would be key, as would
modeling conformational changes.  And as if that weren't enough, it
would be helpful if the software could model interactions within a user
defined cell environment (pH, ion concentrations, etc.).  Graphics
aren't a priority, though they'd be nice, of course.

I have researched this a bit, and found a few pieces of software that
_might_ fit my needs.  Just thought I'd find out what folks out there
have found useful and compare input to my list.

Thanks in advance,
Ted
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