Search Results - "ligand-protein interactions"

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  1. 1
    Novel Structural Features of CDK Inhibition Revealed by an ab Initio Computational MethodCombined with Dynamic Simulations

    Novel Structural Features of CDK Inhibition Revealed by an ab Initio Computational MethodCombined with Dynamic Simulations by Heady, L., Fernandez-Serra, M., Mancera, Ricardo, Joyce, S., Venkitaraman, A., Artacho, E., Skylaris, C., Ciacchi, L., Payne, M.

    Published 2006
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  2. 2
    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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  3. 3
    A New Method for Estimating the Importance of Hydrophobic Groups in the Binding Site of a Protein

    A New Method for Estimating the Importance of Hydrophobic Groups in the Binding Site of a Protein by Kelly, M., Mancera, Ricardo

    Published 2005
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