Search Results - Grosjean, Harold

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  1. 1
    A Small Step Toward Generalizability: Training a Machine Learning Scoring Function for Structure-Based Virtual Screening

    A Small Step Toward Generalizability: Training a Machine Learning Scoring Function for Structure-Based Virtual Screening by Scantlebury, Jack, Vost, Lucy, Carbery, Anna, Hadfield, Thomas E., Turnbull, Oliver M., Brown, Nathan, Chenthamarakshan, Vijil, Das, Payel, Grosjean, Harold, von Delft, Frank, Deane, Charlotte M.

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  2. 2
    SAMPL7 protein-ligand challenge: A community-wide evaluation of computational methods against fragment screening and pose-prediction

    SAMPL7 protein-ligand challenge: A community-wide evaluation of computational methods against fragment screening and pose-prediction by Grosjean, Harold, Işık, Mehtap, Aimon, Anthony, Mobley, David, Chodera, John, von Delft, Frank, Biggin, Philip C

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  3. 3
    PointVS: A Machine Learning Scoring Function that Identifies Important Binding Interactions

    PointVS: A Machine Learning Scoring Function that Identifies Important Binding Interactions by Scantlebury, Jack, Vost, Lucy, Carbery, Anna, Hadfield, Thomas E, Turnbull, Oliver M, Brown, Nathan, Chenthamarakshan, Vijil, Das, Payel, Grosjean, Harold, Frank Von Delft, Deane, Charlotte M

    Published in bioRxiv
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  4. 4
    Synthesis and Anticonvulsant Activities of (R)-N-(4′-Substituted)benzyl 2-Acetamido-3-methoxypropionamides

    Synthesis and Anticonvulsant Activities of (R)-N-(4′-Substituted)benzyl 2-Acetamido-3-methoxypropionamides by Salomé, Christophe, Salomé-Grosjean, Elise, Park, Ki Duk, Morieux, Pierre, Swendiman, Robert, DeMarco, Erica, Stables, James P, Kohn, Harold

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  5. 5
    Merging the Structural Motifs of Functionalized Amino Acids and α-Aminoamides: Compounds with Significant Anticonvulsant Activities

    Merging the Structural Motifs of Functionalized Amino Acids and α-Aminoamides: Compounds with Significant Anticonvulsant Activities by Salomé, Christophe, Salomé-Grosjean, Elise, Stables, James P, Kohn, Harold

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  6. 6
    Primary Amino Acid Derivatives: Compounds with Anticonvulsant and Neuropathic Pain Protection Activities

    Primary Amino Acid Derivatives: Compounds with Anticonvulsant and Neuropathic Pain Protection Activities by King, Amber M, Salomé, Christophe, Dinsmore, Jason, Salomé-Grosjean, Elise, De Ryck, Marc, Kaminski, Rafal, Valade, Anne, Kohn, Harold

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  7. 7
    Primary Amino Acid Derivatives: Substitution of the 4′-N′-Benzylamide Site in (R)-N′-Benzyl 2-Amino-3-methylbutanamide, (R)-N′-Benzyl 2-Amino-3,3-dimethylbutanamide, and (R)-N′-Benzyl 2-Amino-3-methoxypropionamide Provides Potent Anticonvulsants with Pain-Attenuating Properties

    Primary Amino Acid Derivatives: Substitution of the 4′-N′-Benzylamide Site in (R)-N′-Benzyl 2-Amino-3-methylbutanamide, (R)-N′-Benzyl 2-Amino-3,3-dimethylbutanamide, and (R)-N′-Ben... by King, Amber M, Salomé, Christophe, Salomé-Grosjean, Elise, De Ryck, Marc, Kaminski, Rafal, Valade, Anne, Stables, James P, Kohn, Harold

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