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Cosolvent Molecular Dynamics Applied to DPP4, DPP8 and DPP9: Reproduction of Important Binding Features and Use in Inhibitor Design

Olivier Beyens, Sam Corthaut, Sarah Peeters, Pieter Van Der Veken, Ingrid De Meester, Hans De Winter. Cosolvent Molecular Dynamics Applied to DPP4, DPP8 and DPP9: Reproduction of Important Binding Features and Use in Inhibitor Design. Journal of Chemical Information and Computer Sciences, 64(19):7650-7665, 2024. [doi]

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