Search Results - Garcia-Sosa, A.

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  1. 1
    The effect of tightly-bound water molecules on scaffold diversity in computer-aided de novo ligand design of CDK2 inhibitors

    The effect of tightly-bound water molecules on scaffold diversity in computer-aided de novo ligand design of CDK2 inhibitors by Garcia-sosa, A., Mancera, Ricardo

    Published 2006
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  2. 2
    Free energy calculations of mutations involving a tightly bound water molecule and ligand substitutions in a ligand-protein complex

    Free energy calculations of mutations involving a tightly bound water molecule and ligand substitutions in a ligand-protein complex by Garcia-sosa, A., Mancera, Ricardo

    Published 2010
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  3. 3
    Including Tightly-Bound Water Molecules in de Novo Drug Design. Exemplification through the in Silico Generation of Poly(ADP-ribose)polymerase Ligands

    Including Tightly-Bound Water Molecules in de Novo Drug Design. Exemplification through the in Silico Generation of Poly(ADP-ribose)polymerase Ligands by Mancera, Ricardo, Garcia-Sosa, A., Firth-Clark, S.

    Published 2005
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