Subject: CCL: Re: Hydrophobic surface area

From: Michel Petitjean <ptitjean(at)itodys.jussieu.fr>
Date: Thu, 30 Sep 2004 10:32:43 +0200 (MEST)

To: chemistry(at)ccl.net
Subj: CCL: Re: Hydrophobic surface area

Look to the freeware ASV (there is documentation and references):
http://petitjeanmichel.free.fr/itoweb.petitjean.spheres.html
http://petitjeanmichel.free.fr/itoweb.petitjean.freeware.html#ASV
Both the analytical method and the Monte-Carlo are included.

Michel Petitjean,                     Email: petitjean(at)itodys.jussieu.fr
ITODYS (CNRS, UMR 7086)                      ptitjean(at)ccr.jussieu.fr
1 rue Guy de la Brosse                Phone: +33 (0)1 44 27 48 57
75005 Paris, France.                  FAX  : +33 (0)1 44 27 68 14
http://petitjeanmichel.free.fr/itoweb.petitjean.html

Torben Rasmussen <Torben.Rasmussen(at)kemi.uu.se> wrote:
Subject: CCL:Hydrophobic surface area
> I am looking for programs/algorithms/approaches to evaluate hydrophobic
> surface AND surface area for, primarily, organic molecules. Both free
> and commercial programs, suitable for a small research budget, are of
> interest. Pointers to literature discussing this subject will also be
> most appreciated!
>
> I will summarize to the list.
> ...