(Q60860125)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17676581%20AND%20SRC:MED&resulttype=core&format=json

3 January 2020

title

Analysis of classical and quantum paths for deprotonation of methylamine by methylamine dehydrogenase (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17676581%20AND%20SRC:MED&resulttype=core&format=json

3 January 2020

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17676581%20AND%20SRC:MED&resulttype=core&format=json

3 January 2020

Laura Masgrau Fontanet

series ordinal

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17676581%20AND%20SRC:MED&resulttype=core&format=json

3 January 2020

Mike Sutcliffe

series ordinal

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17676581%20AND%20SRC:MED&resulttype=core&format=json

3 January 2020

Adrian J Mulholland

series ordinal

5

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17676581%20AND%20SRC:MED&resulttype=core&format=json

3 January 2020

3

Nigel S Scrutton

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17676581%20AND%20SRC:MED&resulttype=core&format=json

3 January 2020

publication date

1 August 2007

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17676581%20AND%20SRC:MED&resulttype=core&format=json

3 January 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17676581%20AND%20SRC:MED&resulttype=core&format=json

3 January 2020

volume

8

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17676581%20AND%20SRC:MED&resulttype=core&format=json

3 January 2020

issue

12

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17676581%20AND%20SRC:MED&resulttype=core&format=json

3 January 2020

page(s)

1816-1835

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17676581%20AND%20SRC:MED&resulttype=core&format=json

Evidence that both protium and deuterium undergo significant tunneling in the reaction catalyzed by bovine serum amine oxidase

3 January 2020

cites work

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Enzyme dynamics and hydrogen tunnelling in a thermophilic alcohol dehydrogenase.

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Deuterium isotope effects during carbon-hydrogen bond cleavage by trimethylamine dehydrogenase. Implications for mechanism and vibrationally assisted hydrogen tunneling in wild-type and mutant enzymes

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Importance of barrier shape in enzyme-catalyzed reactions. Vibrationally assisted hydrogen tunneling in tryptophan tryptophylquinone-dependent amine dehydrogenases

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

H-tunneling in the multiple H-transfers of the catalytic cycle of morphinone reductase and in the reductive half-reaction of the homologous pentaerythritol tetranitrate reductase.

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Enzymology takes a quantum leap forward

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Hydrogen tunneling in quinoproteins.

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

A perspective on enzyme catalysis.

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Tunneling and dynamics in enzymatic hydride transfer

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Multidimensional tunneling, recrossing, and the transmission coefficient for enzymatic reactions

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Electrostatic basis for enzyme catalysis

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Network of coupled promoting motions in enzyme catalysis

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Environmentally coupled hydrogen tunneling. Linking catalysis to dynamics

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Protein promoting vibrations in enzyme catalysis--a conserved evolutionary motif

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

A compelling experimental test of the hypothesis that enzymes have evolved to enhance quantum mechanical tunneling in hydrogen transfer reactions: the beta-neopentylcobalamin system combined with prior adocobalamin data

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Rate-promoting vibrations and coupled hydrogen-electron transfer reactions in the condensed phase: a model for enzymatic catalysis

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Modelling enzyme reaction mechanisms, specificity and catalysis.

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Computational studies of enzyme mechanism: linking theory with experiment in the analysis of enzymic H-tunnelling.

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Vibrationally enhanced tunneling as a mechanism for enzymatic hydrogen transfer

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Kinetic studies of the mechanism of carbon-hydrogen bond breakage by the heterotetrameric sarcosine oxidase of Arthrobacter sp. 1-IN

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Quantum Mechanical Dynamical Effects in an Enzyme-Catalyzed Proton Transfer Reaction

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Quantum mechanical tunneling in methylamine dehydrogenase

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Erratum to: “Quantum mechanical tunneling in methylamine dehydrogenase” [Chem. Phys. Lett. 347 (2001) 512–518]

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Hydride transfer catalyzed by xylose isomerase: mechanism and quantum effects

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

A combined quantum mechanical and molecular mechanical study of the reaction mechanism and alpha-amino acidity in alanine racemase

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Hybrid quantum/classical path integral approach for simulation of hydrogen transfer reactions in enzymes.

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Structure and mechanism of tryptophylquinone enzymes.

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

A new cofactor in a prokaryotic enzyme: tryptophan tryptophylquinone as the redox prosthetic group in methylamine dehydrogenase

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Isotope labeling studies reveal the order of oxygen incorporation into the tryptophan tryptophylquinone cofactor of methylamine dehydrogenase

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Electron transfer in quinoproteins

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Three-dimensional structure of the quinoprotein methylamine dehydrogenase from Paracoccus denitrificans determined by molecular replacement at 2.8 A resolution

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Reactions of benzylamines with methylamine dehydrogenase. Evidence for a carbanionic reaction intermediate and reaction mechanism similar to eukaryotic quinoproteins

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Electron transfer reactions between aromatic amine dehydrogenase and azurin.

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Atomic description of an enzyme reaction dominated by proton tunneling

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Tunneling and classical paths for proton transfer in an enzyme reaction dominated by tunneling: oxidation of tryptamine by aromatic amine dehydrogenase.

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Nature of hydrogen transfer in soybean lipoxygenase 1: separation of primary and secondary isotope effects

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Proton-coupled electron transfer in soybean lipoxygenase

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Simulating large nuclear quantum mechanical corrections in hydrogen atom transfer reactions in metalloenzymes

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Enzyme dynamics and tunneling enhanced by compression in the hydrogen abstraction catalyzed by soybean lipoxygenase-1

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

QM/MM studies show substantial tunneling for the hydrogen-transfer reaction in methylamine dehydrogenase

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Direct dynamics calculations of reaction rate and kinetic isotope effects in enzyme catalysed reactions

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Quantum study of the structure of the active site of methylamine dehydrogenase

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Molecular Dynamics Study of the Active Site of Methylamine Dehydrogenase

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

An analysis of reaction pathways for proton tunnelling in methylamine dehydrogenase

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Molecular modeling of the kinetic isotope effect for the [1,5]-sigmatropic rearrangement of cis-1,3-pentadiene

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Quantum mechanical/molecular mechanical free energy simulations of the glutathione S-transferase (M1-1) reaction with phenanthrene 9,10-oxide

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Quantum mechanical methods for enzyme kinetics

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

All-atom empirical potential for molecular modeling and dynamics studies of proteins

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Comparison of simple potential functions for simulating liquid water

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Proton tunneling in aromatic amine dehydrogenase is driven by a short-range sub-picosecond promoting vibration: consistency of simulation and theory with experiment.

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Zinc binding in proteins and solution: a simple but accurate nonbonded representation

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Frontier Bonds in QM/MM Methods: A Comparison of Different Approaches

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Quantum Dynamics of Hydride Transfer in Enzyme Catalysis

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Bridging the gap between thermodynamic integration and umbrella sampling provides a novel analysis method: "Umbrella integration".

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Mechanisms of antibiotic resistance: QM/MM modeling of the acylation reaction of a class A beta-lactamase with benzylpenicillin

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Combined quantum mechanical and molecular mechanical reaction pathway calculation for aromatic hydroxylation by p-hydroxybenzoate-3-hydroxylase

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

On the evaluation of quasi-thermodynamic magnitudes from rate constant values. Influence of the variational and tunnelling contributions

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Inclusion of quantum-mechanical vibrational energy in reactive potentials of mean force

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Theoretical studies of enzymic reactions: dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Electrostatic origin of the catalytic power of enzymes and the role of preorganized active sites

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Enzymatic H-transfer requires vibration-driven extreme tunneling

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

High-accuracy computation of reaction barriers in enzymes.

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Conformational effects in enzyme catalysis: reaction via a high energy conformation in fatty acid amide hydrolase

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200700143

7 January 2021

Identifiers

DOI

10.1002/CPHC.200700143

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17676581%20AND%20SRC:MED&resulttype=core&format=json

3 January 2020

1 reference