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    • Combinatorial computational method gives new picomolar ligands for a known enzyme 

      Grzybowski, Bartosz A.; Ishchenko, Alexey V.; Kim, Chu-Young; Topalov, George; Chapman, Robert; Christianson, David W.; Whitesides, George M.; Shakhnovich, Eugene I. (National Academy of Sciences, 2002)
      Combinatorial small molecule growth algorithm was used to design inhibitors for human carbonic anhydrase II. Two enantiomeric candidate molecules were predicted to bind with high potency (with R isomer binding stronger ...