CCL: Program for similarity index calculation

[Jordi Villà i Freixa <jvilla() imim.es>]

 Sent to CCL by: =?ISO-8859-1?Q?Jordi_Vill=E0_i_Freixa?= [jvilla[]imim.es]
 Dear Anderson,
MIPSim can do that and it is free for academia, although it is only
 for
 linux and IRIX. It is based on the potentials calculated by GAMESS
 (quantum electrostatic potential) and GRID (classical MIPs)
 http://diana.imim.es/software/mipsim/index.php
*"Towards a MIP-based alignment and docking in computer-aided
 drug
 design"* Montserrat Barbany, Hugo Gutiérrez de Terán,
 Ferran Sanz, and
 Jordi Villà-Freixa. PROTEINS: Structure, Function and
 Bioinformatics,
 2004, 56, 585-594,
 <http://www3.interscience.wiley.com/cgi-bin/abstract/108563911/ABSTRACT>;
18. * "MIPSIM: Similarity analysis of Molecular Interaction
 Potentials"*
 Miquel de Cáceres, Jordi Villà, Juan J. Lozano and Ferran
 Sanz.
 Bioinformatics, 2000, 16, 568-569
 <http://bioinformatics.oupjournals.org/cgi/content/abstract/16/6/568?maxtoshow=&HITS=10&hits=10&RESULTFORMAT=&author1=villa&andorexacttitle=and&andorexacttitleabs=and&andorexactfulltext=and&searchid=1096974197093_1246&stored_search=&FIRSTINDEX=0&sortspec=relevance&fdate=4/1/1999&tdate=9/30/2001&journalcode=bioinfo>;
 Best wishes
 Jordi
 En/na Anderson Coser Gaudio anderson-$-npd.ufes.br ha escrit:
>  Sent to CCL by: "Anderson Coser Gaudio" [anderson__npd.ufes.br]
>  Dear Colleagues,
> I have a series of compounds that have the same backbone of
>  chloroquine molecule, differing from it by some substituents placed here and
>  there on the structure. I would like to get a measure of the similarity between
>  each one of the molecules in the series and the chloroquine molecule, by using
>  Carbo or Hodgkin indices. Does anyone know a public domain computer program
>  (Windows, if possible...) that can reliably perform such a calculation.
>  
>  I acknowledge any help.
>  Anderson>
>  
 --
 Jordi Villà i Freixa
 Computational Biochemistry and Biophysics lab
 Research Group on Biomedical Informatics (GRIB) - IMIM/UPF
 C/ Doctor Aiguader, 80; 08003 Barcelona (Spain)
 Tel: +34 93 221 1009 ext 2619 // Fax: +34 93 221 3237
 e-mail: jvilla .. imim.es         http://diana.imim.es
 MSc on Bioinformatics for Health Sciences
 http://diana.imim.es/mbio
 http://www.idec.upf.edu/mbio