Study of SQ109 analogs binding to mycobacterium MmpL3 transporter using MD simulations and alchemical relative binding free energy calculations
Article in Journal of Computer-Aided Molecular Design (May 2023)
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Article in Journal of Computer-Aided Molecular Design (May 2023)
Article in Journal of Chemical Information and Modeling (November 2020)
Article in Acta Crystallographica Section D, Structural Biology (October 2018)