Subject: Dendrimer modelling

From: "E.E.Moret" <[email-masked]>
Date: Thu, 8 Dec 94 12:12:27 MET

Dear colleagues,

Dendrimers are branched polymers, resembling trees and branches, of an 
organic repeat unit. Several theories on their potential use have been
proposed (for example Jansen et al., Science 18 november 1994, 1226-1229). 
Among other things, dendrimers might be of use as drug delivery systems.
Their proposed structures, often visualised in 2D in the literature, are
highly suggestive, but 3D information is scarce.

We would like to study the influence of the conformation of
the repeat-unit on the multiple-generation dendrimer that can be constructed.
We are aware of software tools to polymerise repeat-units, especially
the modules implemented in the commercial modelling packages. These
modules, however, require ONE head and ONE tail atom to initiate polymerisation.
Dendrimers, by definition, grow on 3 or more sites of the repeat unit.

We would appreciate any suggestions on research performed in this area and
on programs that can cope with this special kind of "molecular growth".
Replies, if any, will be summarised for CCL.

With best regards,
Ed Moret

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E.E. Moret	(@more@)			    [email-masked]
Computational Medicinal Chemistry/Department of Pharmaceutical Chemistry
Faculty of Pharmacy/Utrecht University/the Netherlands
Telephone	(31-30)536979/536958        Facsimile      (31-30)516674
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