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  1. Article

    Open Access

    AtomicChargeCalculator: interactive web-based calculation of atomic charges in large biomolecular complexes and drug-like molecules

    Partial atomic charges are a well-established concept, useful in understanding and modeling the chemical behavior of molecules, from simple compounds, to large biomolecular complexes with many reactive sites.

    Crina-Maria Ionescu, David Sehnal, Francesco L. Falginella… in Journal of Cheminformatics (2015)

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