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

Grzybowski, BA , Ishchenko, AV , Kim, CY , Topalov, G , Chapman, R , Christianson, DW , Whitesides, GM , Shakhnovich, EI

Article Issue Date2002-02 View178
Development of a knowledge-based potential for crystals of small organic molecules: Calculation of energy surfaces for C=0 center dot center dot center dot H-N hydrogen bonds File

Grzybowski, BA , Ishchenko, AV , DeWitte, RS , Whitesides, GM , Shakhnovich, EI

Article Issue Date2000-08 View173
From knowledge-based potentials to combinatorial lead design in silico File

Grzybowski, BA , Ishchenko, AV , Shimada, J , Shakhnovich, EI

Article Issue Date2002-05 View83
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