From moret@far.ruu.nl Thu Dec 8 06:22:24 1994 Received: from accucx.cc.ruu.nl for moret@far.ruu.nl by www.ccl.net (8.6.9/930601.1506) id GAA07351; Thu, 8 Dec 1994 06:14:53 -0500 Received: from far.ruu.nl (ruucmc.far.ruu.nl) by accucx.cc.ruu.nl with SMTP id AA06400 (5.65c/IDA-1.4.4 for ); Thu, 8 Dec 1994 12:14:51 +0100 Message-Id: <199412081114.AA06400@accucx.cc.ruu.nl> Received: by ruucmc.far.ruu.nl (16.6/16.2) id AA08177; Thu, 8 Dec 94 12:12:27 +0100 From: "E.E.Moret" Subject: Dendrimer modelling To: chemistry@ruucmc.far.ruu.nl Date: Thu, 8 Dec 94 12:12:27 MET Name: Ed Moret Organisation: Utrecht University Phone: 030 - 536979 Mailer: Elm [revision: 66.25] 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 ------------------------------------------------------------------------- E.E. Moret (@more@) E.E.Moret@far.ruu.nl Computational Medicinal Chemistry/Department of Pharmaceutical Chemistry Faculty of Pharmacy/Utrecht University/the Netherlands Telephone (31-30)536979/536958 Facsimile (31-30)516674 -------------------------------------------------------------------------