Motif formation prediction

Leigh DA, Venturini A, Wilson AJ, Wong JKY, Zerbetto F (2004) The mechanism of formation of amide-based interlocked compounds prediction of a new rotaxane-forming motif. Chem Eur J 10 4960 -969... 

The opposite supramolecular chiral motif is always observed for opposite enantiomers, but which handedness will be expressed in the supramolecular assembly of a particular enantiomer is difficult to predict. An example for opposite-handed supramolecular structures built by equally handed monomers is the formation of chiral rosettes with oligp(p-phenylene vinylene) derivatives on hopg (Fig. 17). Again, the interplay of lateral hy-... 

In avermectin polyketide synthase, the last invariant Ala in the motif sequence is substituted to Thr [28]. KR domain activity is predicted to be required for the formation of avermectin aglycons. In another group of KR domains, the motif sequence corresponding region is not found, which readily accounts for their inactivity. 

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