"Input Pose is Key to Performance of Free Energy Perturbation: Benchmarking ..."

Donya Ohadi et al. (2024)

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DOI: 10.1021/ACS.JCIM.4C01223

access: closed

type: Journal Article

metadata version: 2025-01-02

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Donya Ohadi, Kiran Kumar, Suchitra Ravula, Renee L. DesJarlais, Mark Seierstad, Amy Y. Shih, Michael D. Hack, Jamie M. Schiffer:
Input Pose is Key to Performance of Free Energy Perturbation: Benchmarking with Monoacylglycerol Lipase. J. Chem. Inf. Model. 64(23): 8859-8869 (2024)

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