Comparison of enveloping distribution sampling and thermodynamic integration to calculate binding free energies of phenylethanolamine N-methyltransferase inhibitors

Sereina Riniker, Clara Christ, Niels Hansen, Alan Mark, Pramod Nair, Wilfred van Gunsteren

    Research output: Contribution to journal › Article › peer-review

    33 Citations (Scopus)

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    Chemical Compounds