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A Streamlined, General Approach for Computing Ligand Binding Free Energies and Its Application to GPCR-Bound Cholesterol

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https://hal.archives-ouvertes.fr/hal-02540263
Contributor : Jérôme Hénin Connect in order to contact the contributor
Submitted on : Friday, April 10, 2020 - 6:23:35 PM
Last modification on : Wednesday, February 9, 2022 - 3:46:07 AM

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Reza Salari, Thomas Joseph, Ruchi Lohia, Jérôme Hénin, Grace Brannigan. A Streamlined, General Approach for Computing Ligand Binding Free Energies and Its Application to GPCR-Bound Cholesterol. Journal of Chemical Theory and Computation, American Chemical Society, 2018, 14 (12), pp.6560-6573. ⟨10.1021/acs.jctc.8b00447⟩. ⟨hal-02540263⟩

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