Finite-temperature effects in enzymatic reactions — Insights from QM/MM free-energy simulations
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Insights into enzymatic halogenation from computational studiesHow Do Perfluorinated Alkanoic Acids Elicit Cytochrome P450 to Catalyze Methane Hydroxylation? An MD and QM/MM Study.Reductive half-reaction of aldehyde oxidoreductase toward acetaldehyde: Ab initio and free energy quantum mechanical/molecular mechanical calculations.A microiterative intrinsic reaction coordinate method for large QM/MM systems.N-O bond cleavage mechanism(s) in nitrous oxide reductase.Methodological aspects of QM/MM calculations: A case study on matrix metalloproteinase-2Semiempirical quantum-chemical methodsQuantum mechanics/molecular mechanics dual Hamiltonian free energy perturbation
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Finite-temperature effects in enzymatic reactions — Insights from QM/MM free-energy simulations
description
im Oktober 2009 veröffentlichter wissenschaftlicher Artikel
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wetenschappelijk artikel
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наукова стаття, опублікована в жовтні 2009
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name
Finite-temperature effects in ...... QM/MM free-energy simulations
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Finite-temperature effects in ...... QM/MM free-energy simulations
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type
label
Finite-temperature effects in ...... QM/MM free-energy simulations
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Finite-temperature effects in ...... QM/MM free-energy simulations
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prefLabel
Finite-temperature effects in ...... QM/MM free-energy simulations
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Finite-temperature effects in ...... QM/MM free-energy simulations
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P2860
P50
P356
P1476
Finite-temperature effects in ...... QM/MM free-energy simulations
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P2093
Jürgen Breidung
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P304
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10.1139/V09-092
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P577
2009-10-01T00:00:00Z