A HYBRID DIVIDE-AND-CONQUER DFT/MOLECULAR MECHANICS METHOD TO STUDY ENZYME REACTION-MECHANISMS

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作者
PANIGRAHY, S [1 ]
BASH, PA [1 ]
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[1] ARGONNE NATL LAB,CTR MECHANIST BIOL & BIOTECHNOL,ARGONNE,IL 60439
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O6 [化学];
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0703 ;
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页码:68 / COMP
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