Hi all.
Let me make just a little question: Have anyone here a reference
for any article, using the amber force field, in which the authors
calculate and compare with the experiment the normal modes of the
histidine aminoacid? My question is because I would like to compare the
results I'm having here with some residue-substituted calculations on this
aminoacids, just because I'm getting some too different results for the
ring stretchings, specially when treating the protonated histidine case.
Any suggestion will be very welcome...
Sincerally yours,
Jones
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* Jones de Andrade *
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* Theoretical Chemistry Group * Grupo de Quimica Teorica *
*
http://www.iq.ufrgs.br/theochem.html *
* Institute of Chemistry * Instituto de Quimica *
*
http://www.iq.ufrgs.br/ *
* Universidade Federal do Rio Grande do Sul *
*
http://www.ufrgs.br/ *
* Brasil *
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* E-mail:johannes_at_iq.ufrgs.br *
* ICQ UIN: 17929775 *
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* "We turn molecules into numbers, *
* and numbers into molecules..." *
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Received on Thu Jul 12 2001 - 07:04:23 PDT
