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    • Paolo Tosco

    3 results in Authors: Paolo Tosco

    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    Identification and Analysis of Activity Cliffs Using 3D Similarity Techniques

    , Authors: Mark Mackey, Timothy J. Cheeseright, Paolo Tosco
    139
    Downloads
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    A Hybrid Alchemical Free Energy and Machine Learning Methodology for the Calculation of Absolute Hydration Free Energies of Small Molecules

    , Authors: Jenke Scheen, Wilson Wu, Antonia S. J. S. Mey, Paolo Tosco, Mark Mackey, Julien Michel
    156
    Downloads
    1
    Citations
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    Automated Assessment of Binding Affinity via Alchemical Free Energy Calculations

    , Authors: Maximilian Kuhn, Stuart Firth-Clark, Paolo Tosco, Antonia S. J. S. Mey, Mark Mackey, Julien Michel
    395
    Downloads