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Florbela Pereira

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    Marvin JChem Publication
    12 09 2019
    < 1 minute

    A Ligand-Based Approach to the Discovery of Lead-Like Potassium Channel KV1.3 Inhibitors

    Voltage-gated ion channels are key molecular targets for autoimmune diseases such as multiple...

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    Marvin Standardizer JChem Calculator Plugins (logP logD pKa etc...) Publication
    12 09 2019
    < 1 minute

    Machine learning for the prediction of molecular dipole moments obtained by density functional theory

    Machine learning (ML) algorithms were explored for the fast estimation of molecular dipole moments...

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    Marvin Standardizer JChem Publication
    12 09 2019
    < 1 minute

    In Silico HCT116 Human Colon Cancer Cell-Based Models En Route to the Discovery of Lead-Like Anticancer Drugs

    To discover new inhibitors against the human colon carcinoma HCT116 cell line, two quantitative...

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    Marvin Standardizer JChem Publication
    12 09 2019
    < 1 minute

    A Computer-Driven Approach to Discover Natural Product Leads for Methicillin-Resistant Staphylococcus aureus Infection Therapy

    The risk of methicillin-resistant Staphylococcus aureus (MRSA) infection is increasing in both the...

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