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"Combining QM/MM Calculations with Classical Mining Minima to Predict ..."

Farzad Molani, Simon Webb, Art E. Cho (2023)

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DOI: 10.1021/ACS.JCIM.2C01637

access: closed

type: Journal Article

metadata version: 2023-06-02

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  - journals/jcisd/MolaniWC23
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  - https://dblp.org/rec/journals/jcisd/MolaniWC23
Farzad Molani, Simon Webb, Art E. Cho:
Combining QM/MM Calculations with Classical Mining Minima to Predict Protein-Ligand Binding Free Energy. J. Chem. Inf. Model. 63(9): 2728-2734 (2023)

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