IUBio

Quantum Neurochemistry?

Peter H. Proctor pproctor at sam.neosoft.com
Thu May 23 07:42:21 EST 1996


In article <832776819 at awaiter.com> howard.olson at awaiter.com (Howard Olson) writes:
>From: howard.olson at awaiter.com (Howard Olson)
>Subject: Quantum Neurochemistry?
>Date: Wed, 22 May 1996 14:52:03 GMT

>Can anyone tell me if there are any reviews in the field of 
>Quantum Neurochemistry? In other words is anyone doing work such as 
>Huckel calculations on neurotransmitters etc. ? 

    There has been some work done over the years in this area.   Huckel stuff 
can be useful as a start..   If you want to do some more advanced molecualr 
orbital calculations,  get on the world wide web and look for "MOPAC" using a 
search program.

    I think MOPAC 6.0 is the latest for PC's.    BTW,  it started as a Unix 
program, so versions of this are also available.   Good for calculating 
ionization potentials,  Molecular orbitals, etc..   Some molecular desigh 
programs will produce files suitable for MOPAC.

Peter H. Proctor, PhD, MD




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