Correlation between host-guest binding and host amplification in simulated dynamic combinatorial libraries.
We present a versatile computer model of diverse dynamic combinatorial libraries, and examine how molecular recognition between library members and a template can be used to amplify the best binders. The correlation between host-guest binding and amplification was examined for a set of 50 libraries with >300 components each over a wide range of template and building block concentrations. Depending on these concentrations correlations vary from poor (when using a large excess of template) to good (for very dilute libraries and/or substoichiometric template concentrations), highlighting the need to choose the experimental conditions for dynamic combinatorial libraries thoughtfully.
Corbett
Peter T
PT
Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, UK.
Otto
Sijbren
S
Sanders
Jeremy K M
JK