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Ostrov, N. et al. Design, synthesis, and testing toward a 57-codon genome.
Rocklin, G.J. et al. Global analysis of protein folding using massively parallel design, synthesis and testing.
Our proposed ligands are open to experimental synthesis and testing.
Evolutionary algorithms (EAs) and particle swarm optimization (PSO) are presented as preferred techniques for iterative virtual synthesis and testing.
Based on the above structural criteria, a reduced order model is also presented that allows for the quick screening of large compound libraries and down selection of promising candidates for synthesis and testing.
The method can even be used to guide the de novo design of molecules prior to synthesis and testing.
Similar(9)
A library of bisphosphonate-based ligands was prepared using solution-phase parallel synthesis and tested for its uranium-binding properties.
Peptides were prepared via solid-phase peptide synthesis and tested for affinity to Src SH2 domain using a fluorescence polarization based assay.
Two V-SBA-15 and V-MCF materials (V content ca. 2.5 wt.%) were prepared by direct synthesis and tested in the catalytic decomposition of dichloromethane.
Eventually, the best (ADMET and pharmacophore score) candidate structures will be proposed for synthesis and tested for activity.
Pyrazoles were generated by microwave-assisted synthesis and tested for effects on Ca2+ entry by Fura-2 imaging and membrane currents by patch-clamp recording.
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