Accurate predictions of biomolecular interactions using density functional theory based semi-empirical alchemical derivatives in chemical compound space

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作者
von Lilienfeld, O. Anatole [1 ]
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[1] Argonne Natl Lab, Argonne Leadership Comp Facil, Argonne, IL 60439 USA
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O6 [化学];
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0703 ;
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257-COMP
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页数:1
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