(Q35377798)

8 August 2017

title

The entropic contributions in vitamin B12 enzymes still reflect the electrostatic paradigm (English)

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8 August 2017

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3

Arieh Warshel

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8 August 2017

Patrick Schopf

1

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8 August 2017

Matthew J L Mills

series ordinal

2

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8 August 2017

language of work or name

English

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publication date

24 March 2015

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Proceedings of the National Academy of Sciences of the United States of America

8 August 2017

published in

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8 August 2017

volume

112

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8 August 2017

issue

14

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8 August 2017

page(s)

4328-4333

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Protein surface softness is the origin of enzyme cold-adaptation of trypsin

8 August 2017

cites work

1 reference

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Entropic origin of cobalt-carbon bond cleavage catalysis in adenosylcobalamin-dependent ethanolamine ammonia-lyase

12 July 2018

1 reference

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Adenosylcobalamin enzymes: theory and experiment begin to converge

12 July 2018

1 reference

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The elusive 5'-deoxyadenosyl radical in coenzyme-B12-mediated reactions.

12 July 2018

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Prechemistry versus preorganization in DNA replication fidelity

12 July 2018

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Examining the case for the effect of barrier compression on tunneling, vibrationally enhanced catalysis, catalytic entropy and related issues

12 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4394256

A comprehensive examination of the contributions to the binding entropy of protein-ligand complexes

12 July 2018

1 reference

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Coupling of hydrogenic tunneling to active-site motion in the hydrogen radical transfer catalyzed by a coenzyme B12-dependent mutase

12 July 2018

1 reference

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A new paradigm for electrostatic catalysis of radical reactions in vitamin B12 enzymes

12 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4394256

Electrostatic basis for enzyme catalysis

12 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4394256

On possible pitfalls in ab initio quantum mechanics/molecular mechanics minimization approaches for studies of enzymatic reactions

12 July 2018

1 reference

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Modelling enzyme reaction mechanisms, specificity and catalysis.

12 July 2018

1 reference

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Chemistry and enzymology of vitamin B12.

12 July 2018

1 reference

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A computational study of the open and closed forms of the N-lobe human serum transferrin apoprotein

12 July 2018

1 reference

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

12 July 2018

1 reference

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Simulating enzyme reactions: challenges and perspectives

12 July 2018

1 reference

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Elucidating the nature of enzyme catalysis utilizing a new twist on an old methodology: quantum mechanical-free energy calculations on chemical reactions in enzymes and in aqueous solution

12 July 2018

1 reference

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How important are entropic contributions to enzyme catalysis?

12 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4394256

Glutamate mutase from Clostridium cochlearium: the structure of a coenzyme B12-dependent enzyme provides new mechanistic insights

12 July 2018

1 reference

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Conformational changes on substrate binding to methylmalonyl CoA mutase and new insights into the free radical mechanism

12 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4394256

Entropic Contributions to Rate Accelerations in Enzymic and Intramolecular Reactions and the Chelate Effect

12 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4394256

The Catalytic and Regulatory Properties of Enzymes

12 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4394256

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

12 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4394256

Evaluating the Accuracy of the Quasiharmonic Approximation

12 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4394256

Combining Quantum Mechanics Methods with Molecular Mechanics Methods in ONIOM.

26 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4394256

Role of active site residues in promoting cobalt-carbon bond homolysis in adenosylcobalamin-dependent mutases revealed through experiment and computation

26 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4394256

DFT and ONIOM(DFT:MM) studies on Co-C bond cleavage and hydrogen transfer in B12-dependent methylmalonyl-CoA mutase. Stepwise or concerted mechanism?

26 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4394256

Computational insights into the mechanism of radical generation in B12-dependent methylmalonyl-CoA mutase.

26 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4394256

How the Co-C bond is cleaved in coenzyme B12 enzymes: a theoretical study

26 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4394256

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

26 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4394256

Computer simulations with explicit solvent: recent progress in the thermodynamic decomposition of free energies and in modeling electrostatic effects.

26 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4394256

Thermodynamic and kinetic characterization of Co-C bond homolysis catalyzed by coenzyme B(12)-dependent methylmalonyl-CoA mutase

26 September 2018

1 reference

12 December 2020

Crystal structure of a lysozyme-tetrasaccharide lactone complex

1 reference

12 December 2020

Does Cob(II)alamin act as a conductor in coenzyme B12 dependent mutases?

1 reference

12 December 2020

Mechanisms of coenzyme B12-dependent rearrangements

1 reference

12 December 2020

Structural and electronic similarity but functional difference in methylmalonyl-CoA mutase between coenzyme B12 and the analog 2,'5'-dideoxyadenosylcobalamin

1 reference

12 December 2020

Thermodynamic and kinetic studies on carbon-cobalt bond homolysis by ribonucleoside triphosphate reductase: the importance of entropy in catalysis

1 reference

12 December 2020

Simulation of enzyme reactions using valence bond force fields and other hybrid quantum/classical approaches

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1073/PNAS.1503828112

Identifiers

DOI

10.1073/PNAS.1503828112

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8 August 2017

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8 August 2017

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