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"Obtaining QM/MM binding free energies in the SAMPL8 drugs of abuse ..."

Phillip S. Hudson et al. (2022)

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DOI: 10.1007/S10822-022-00443-8

access: open

type: Journal Article

metadata version: 2022-10-02

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  - journals/jcamd/HudsonAMWPPJWB22
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  - https://dblp.org/rec/journals/jcamd/HudsonAMWPPJWB22
Phillip S. Hudson, Félix Aviat, Rubén Meana-Pañeda, Luke C. Warrensford, Benjamin C. Pollard, Samarjeet Prasad, Michael R. Jones, H. Lee Woodcock III, Bernard R. Brooks:
Obtaining QM/MM binding free energies in the SAMPL8 drugs of abuse challenge: indirect approaches. J. Comput. Aided Mol. Des. 36(4): 263-277 (2022)

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