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FlexAID: Revisiting docking on non native-complex structures

bioRxiv

Nov 26, 2014

Francis Gaudreault, Rafael Josef Najmanovich

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Abstract

Small-molecule protein docking is an essential tool in drug design and to understand molecular recognition. In the present work we introduce FlexAID, a small-molecule docking algorithm that accounts for target side-chain flexibility and utilizes a soft scoring function, i.e. one that is...read more

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Pharmaceutical Preparations
Gold
Ligands
Signal Pathways
Arsenal
Surface
Structure of Plane Joint
Integrator, veterinary brand name drug
Bounded by
Molecular Recognition
6
9
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  • FlexAID: Revisiting docking on non native-complex structures

    bioRxiv

    Nov 26, 2014

    Francis Gaudreault, Rafael Josef Najmanovich

    PMID: 990011791

    DOI: 10.1101/011791

    Abstract

    Small-molecule protein docking is an essential tool in drug design and to understand molecular recognition. In the present work we introduce FlexAID, a small-molecule docking algorithm that accounts for target side-chain flexibility and utilizes a soft scoring function, i.e. one that is...read more

    Mentioned in this Paper

    Pharmaceutical Preparations
    Gold
    Ligands
    Signal Pathways
    Arsenal
    6
    9

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