DFT and ONIOM(DFT:MM) studies on Co-C bond cleavage and hydrogen transfer in B12-dependent methylmalonyl-CoA mutase. Stepwise or concerted mechanism?
about
The entropic contributions in vitamin B12 enzymes still reflect the electrostatic paradigm.Theoretical studies of structure, function and reactivity of molecules--a personal account.Adenosylcobalamin enzymes: theory and experiment begin to convergeMechanistic investigation of methanol to propene conversion catalyzed by H-beta zeolite: a two-layer ONIOM study.Unraveling the Mechanism and Regioselectivity of the B12-Dependent Reductive Dehalogenase PceA.From NAD+ to Nickel Pincer Complex: A Significant Cofactor Evolution Presented by Lactate Racemase.Quantum Mechanics/Molecular Mechanics Studies on the Mechanism of Action of Cofactor Pyridoxal 5′-Phosphate in Ornithine 4,5-AminomutaseNeutral zinc, lower-order zincate and higher-order zincate derivatives of pyrrole: synthesis and structural characterisation of zinc complexes with one, two, three or four pyrrolyl ligands
P2860
Q35377798-97BFDC9D-A194-4E82-A91E-99B1E34A53C3Q37483257-8D826DC9-F2E2-4D72-A73C-71D7415B1253Q38003770-760DD9FC-CC75-4BCD-BCC2-A274269C2CFFQ44298845-DAC610AC-3569-42F5-BF47-C3081DA943AEQ48055234-5174B3BC-7FDA-4AFE-A72E-C7EFEF557DF4Q50931994-5B3E925E-A5A4-4B72-B43D-7BCE5D8357D6Q57015760-61EDE901-86C8-4D07-9078-48E5D903F270Q57960423-C5883A48-48BA-4EAE-9DB5-2C00CB5BE6A2
P2860
DFT and ONIOM(DFT:MM) studies on Co-C bond cleavage and hydrogen transfer in B12-dependent methylmalonyl-CoA mutase. Stepwise or concerted mechanism?
description
2009 nî lūn-bûn
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2009年の論文
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2009年学术文章
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2009年学术文章
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2009年学术文章
@zh-cn
2009年学术文章
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2009年学术文章
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2009年学术文章
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2009年學術文章
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2009年學術文章
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name
DFT and ONIOM
@nl
DFT and ONIOM(DFT:MM) studies ...... epwise or concerted mechanism?
@en
type
label
DFT and ONIOM
@nl
DFT and ONIOM(DFT:MM) studies ...... epwise or concerted mechanism?
@en
prefLabel
DFT and ONIOM
@nl
DFT and ONIOM(DFT:MM) studies ...... epwise or concerted mechanism?
@en
P2093
P356
P1476
DFT and ONIOM(DFT:MM) studies ...... epwise or concerted mechanism?
@en
P2093
Keiji Morokuma
Piotr Paneth
P304
P356
10.1021/JA807677Z
P407
P577
2009-04-01T00:00:00Z