CCL Home Preclinical Pharmacokinetics Service
APREDICA -- Preclinical Service: ADME, Toxicity, Pharmacokinetics
Up Directory CCL May 17, 1999 [004]
Previous Message Month index Next day

From:  Jose Manuel Martinez Fernandez <josema (+ at +) us.es>
Date:  Mon, 17 May 1999 10:06:20 +0100 (WETDST)
Subject:  nucleotide structures using amber?


Dear Netters,

I'm trying to simulate single stranded DNA using
DL_POLY package. Force Field I'm using is AMBER
(JACS'95, vol. 117, 5179-5197)

In order to check if I correctly implemented the FF,
I would appreciate if anyone could send me optimized
structures obtained with other programs and their
corresponding energies using amber95. Just two or three
linked nucleotides I think is enough to test all the
terms.

thanks in advance,
josema


           __________________________________________________________
           _                                                        _
	   _     Jose Manuel Martinez Fernandez, Ph.D.              _
	   _  	Dept. de Quimica Fisica, Universidad de Sevilla     _
	   _  	Facultad de Quimica, SEVILLA 41012, SPAIN           _
	   _     e-mail:  jmmartin \\at// cica.es                          _
	   _              josema \\at// mozart.us.es                       _
           __________________________________________________________


            



Similar Messages
04/23/1999:  oligonucleotide strands MD simulations
06/24/1997:  FT of VACF
03/31/1999:   Yttrium semiempirical and/or MM computations
05/17/1999:  Re: CCL:nucleotide structures using amber?
04/21/1998:  quitel XXIV?


Raw Message Text