Dendrimer modelling



 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	( $#at#$ more $#at#$ )			    E.E.Moret $#at#$ 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
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