(Q39482757)

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Transition state theory can be used in studies of enzyme catalysis: lessons from simulations of tunnelling and dynamical effects in lipoxygenase and other systems

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scholarly article

1 reference

Europe PubMed Central

12 September 2017

Transition state theory can be used in studies of enzyme catalysis: lessons from simulations of tunnelling and dynamical effects in lipoxygenase and other systems (English)

1 reference

Europe PubMed Central

12 September 2017

3

object named as

Arieh Warshel

1 reference

Europe PubMed Central

12 September 2017

author name string

Mats H M Olsson

1

1 reference

Europe PubMed Central

12 September 2017

Janez Mavri

2

1 reference

Europe PubMed Central

12 September 2017

language of work or name

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publication date

1 August 2006

1 reference

Europe PubMed Central

12 September 2017

Philosophical Transactions of the Royal Society B

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Europe PubMed Central

12 September 2017

361

1 reference

Europe PubMed Central

12 September 2017

1472

1 reference

Europe PubMed Central

12 September 2017

1417-1432

1 reference

Europe PubMed Central

12 September 2017

Enzymes: By chance, or by design?

1 reference

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12 September 2017

Structure, dynamics, and catalytic function of dihydrofolate reductase

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1647313

12 September 2017

Quantum-classical simulation methods for hydrogen transfer in enzymes: a case study of dihydrofolate reductase

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1647313

12 September 2017

Simulations of the large kinetic isotope effect and the temperature dependence of the hydrogen atom transfer in lipoxygenase

1 reference

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How enzymes work: analysis by modern rate theory and computer simulations

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Structure/function correlations of proteins using MM, QM/MM, and related approaches: methods, concepts, pitfalls, and current progress

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Correlated motion and the effect of distal mutations in dihydrofolate reductase

1 reference

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NMR methods for characterizing microsecond to millisecond dynamics in recognition and catalysis

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Environmentally coupled hydrogen tunneling. Linking catalysis to dynamics

1 reference

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Temperature-dependent isotope effects in soybean lipoxygenase-1: correlating hydrogen tunneling with protein dynamics.

1 reference

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Enzyme dynamics during catalysis

1 reference

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Hydride transfer in liver alcohol dehydrogenase: quantum dynamics, kinetic isotope effects, and role of enzyme motion

1 reference

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Nuclear magnetic resonance methods for quantifying microsecond-to-millisecond motions in biological macromolecules

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Functional dynamics in the active site of the ribonuclease binase

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Autoionization in liquid water

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Hydrogen tunneling in biology

1 reference

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Large kinetic isotope effects in enzymatic proton transfer and the role of substrate oscillations

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Dynamics of enzymatic reactions

1 reference

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Energetics of enzyme catalysis

1 reference

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Simulating enzyme reactions: challenges and perspectives

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Enzymology. A moving story

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Proton-coupled electron transfer in soybean lipoxygenase

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Effect of cofactor binding and loop conformation on side chain methyl dynamics in dihydrofolate reductase

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Effect of mutation on enzyme motion in dihydrofolate reductase

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Kinetic isotope effects for concerted multiple proton transfer: a direct dynamics study of an active-site model of carbonic anhydrase II.

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How much do enzymes really gain by restraining their reacting fragments?

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Heavy-atom skeleton quantization and proton tunneling in "intermediate-barrier" hydrogen bonds.

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Density-functional investigation on the mechanism of H-atom abstraction by lipoxygenase

1 reference

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1 reference

https://pubmed.ncbi.nlm.nih.gov/16873128

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Evidence for a functional role of the dynamics of glycine-121 of Escherichia coli dihydrofolate reductase obtained from kinetic analysis of a site-directed mutant

1 reference

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NMR characterization of the dynamics of biomacromolecules

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1 reference

https://pubmed.ncbi.nlm.nih.gov/16873128

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1 reference

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Quantum Dynamics of Hydride Transfer in Enzyme Catalysis

1 reference

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https://opencitations.net/index/coci/api/v1/references/10.1098/RSTB.2006.1880

A combined quantum mechanical and molecular mechanical potential for molecular dynamics simulations

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Identifiers

10.1098/RSTB.2006.1880

1 reference

Europe PubMed Central

12 September 2017

1 reference

Europe PubMed Central

12 September 2017

1 reference

Europe PubMed Central

12 September 2017

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