(Q43462829)

English

Computer simulations of enzymatic reactions: examination of linear free-energy relationships and quantum-mechanical corrections in the initial proton-transfer step of carbonic anhydrase

scientific article published on January 1, 1992

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scholarly article

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Europe PubMed Central

PubMed publication ID

23 November 2017

Computer simulations of enzymatic reactions: examination of linear free-energy relationships and quantum-mechanical corrections in the initial proton-transfer step of carbonic anhydrase (English)

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A1337846

15 September 2022

computer simulation

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based on heuristic

inferred from title

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Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A1337846

15 September 2022

1

object named as

Warshel A

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Europe PubMed Central

PubMed publication ID

23 November 2017

author name string

J. K. Hwang

2

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A1337846

15 September 2022

J. Aqvist

3

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A1337846

15 September 2022

language of work or name

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National Center for Biotechnology Information

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https://eutils.ncbi.nlm.nih.gov/entrez/eutils/esummary.fcgi?db=pubmed&retmode=json&id=1337846

15 September 2022

publication date

1 January 1992

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Europe PubMed Central

PubMed publication ID

23 November 2017

Faraday Discussions

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23 November 2017

93

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Europe PubMed Central

PubMed publication ID

23 November 2017

225-238

1 reference

Europe PubMed Central

PubMed publication ID

23 November 2017

Calculations of enzymatic reactions: calculations of pKa, proton transfer reactions, and general acid catalysis reactions in enzymes.

1 reference

11 October 2022

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The role of metal ions in the mechanism of action of hydrolytic metalloenzymes: carbonic anhydrase

1 reference

11 October 2022

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Chemical and Electrochemical Electron-Transfer Theory

1 reference

11 October 2022

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Direct Brønsted analysis of the restoration of activity to a mutant enzyme by exogenous amines

1 reference

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Linear free energy relationships in enzyme binding interactions studied by protein engineering

1 reference

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Probing the salt bridge in the dihydrofolate reductase-methotrexate complex by using the coordinate-coupled free-energy perturbation method

1 reference

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Quantum simulation of hydrogen in metals

1 reference

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Carbonic anhydrase: zinc and the mechanism of catalysis

1 reference

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Dispersed polaron simulations of electron transfer in photosynthetic reaction centers

1 reference

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Calculations of free energy profiles for the staphylococcal nuclease catalyzed reaction

1 reference

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Role of histidine 64 in the catalytic mechanism of human carbonic anhydrase II studied with a site-specific mutant

1 reference

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A 13C nuclear magnetic resonance study of CO2/HCO-3 exchange catalyzed by human carbonic anhydrase I

1 reference

11 October 2022

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Crystallographic studies of inhibitor binding sites in human carbonic anhydrase II: a pentacoordinated binding of the SCN- ion to the zinc at high pH

1 reference

11 October 2022

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An electronic mechanism for the catalysis of carbonic anhydrase

1 reference

11 October 2022

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Quantitative analysis of structure–activity relationships in engineered proteins by linear free-energy relationships

1 reference

11 October 2022

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

1 reference

11 October 2022

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The interpretation of site-directed mutagenesis experiments by linear free energy relations.

1 reference

11 October 2022

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The catalytic mechanism of carbonic anhydrase: implications of a rate-limiting protolysis of water

1 reference

11 October 2022

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A study of the histidine residues of human carbonic anhydrase B using 270 MHz proton magnetic resonance.

1 reference

11 October 2022

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Evaluation of catalytic free energies in genetically modified proteins

1 reference

11 October 2022

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Structure, refinement, and function of carbonic anhydrase isozymes: refinement of human carbonic anhydrase I

1 reference

11 October 2022

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Identifiers

10.1039/FD9929300225

0 references

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

23 November 2017

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