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Blinded evaluation of cathepsin S inhibitors from the D3RGC3 dataset using molecular docking and free energy calculations

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https://hal.archives-ouvertes.fr/hal-02119834
Contributor : Bogdan Iorga <>
Submitted on : Wednesday, May 6, 2020 - 11:55:32 PM
Last modification on : Monday, December 14, 2020 - 3:40:51 PM

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Ludovic Chaput, Edithe Selwa, Eddy Elisée, Bogdan Iorga. Blinded evaluation of cathepsin S inhibitors from the D3RGC3 dataset using molecular docking and free energy calculations. Journal of Computer-Aided Molecular Design, Springer Verlag, 2019, 33 (1), pp.93-103. ⟨10.1007/s10822-018-0161-7⟩. ⟨hal-02119834⟩

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