Extension of QM/MM docking and its appli
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Art E. Cho; David Rinaldo
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Article
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2009
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John Wiley and Sons
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English
β 366 KB
## Abstract To overcome the limitation of conventional docking methods which assume fixed charge model from force field parameters, combined quantum mechanics/molecular mechanics (QM/MM) method has been applied to docking as a variable charge model and shown to exhibit improvement on the docking ac