(Q52739854)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22745111%20AND%20SRC:MED&resulttype=core&format=json

6 February 2020

title

Hydrolysis of phosphotriesters: a theoretical analysis of the enzymatic and solution mechanisms (English)

1 reference

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6 February 2020

4

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6 February 2020

Iñaki Tuñón

5

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6 February 2020

José Javier Ruiz-Pernía

2

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6 February 2020

Raquel Castillo

3

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6 February 2020

author name string

Violeta López-Canut

1

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6 February 2020

language of work or name

English

0 references

publication date

28 June 2012

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22745111%20AND%20SRC:MED&resulttype=core&format=json

Chemistry—A European Journal

6 February 2020

published in

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6 February 2020

volume

18

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6 February 2020

issue

31

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6 February 2020

page(s)

9612-9621

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Stereochemical constraints on the substrate specificity of phosphotriesterase.

6 February 2020

cites work

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201103615

Structure-activity relationships in the hydrolysis of substrates by the phosphotriesterase from Pseudomonas diminuta.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201103615

Limits of diffusion in the hydrolysis of substrates by the phosphotriesterase from Pseudomonas diminuta.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201103615

Toxicity of the organophosphate chemical warfare agents GA, GB, and VX: implications for public protection

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201103615

Bacterial detoxification of organophosphate nerve agents

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201103615

Mechanism and stereochemical course at phosphorus of the reaction catalyzed by a bacterial phosphotriesterase

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201103615

Three-dimensional structure of the zinc-containing phosphotriesterase with the bound substrate analog diethyl 4-methylbenzylphosphonate

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201103615

What makes an enzyme promiscuous?

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201103615

Enzymatic mechanisms of phosphate and sulfate transfer.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201103615

Theoretical study of the phosphotriesterase reaction mechanism.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201103615

Theoretical study of phosphodiester hydrolysis in nucleotide pyrophosphatase/phosphodiesterase. Environmental effects on the reaction mechanism.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201103615

Quantum dynamics of hydride transfer catalyzed by bimetallic electrophilic catalysis: synchronous motion of Mg(2+) and H(-) in xylose isomerase

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201103615

The reaction mechanism of paraoxon hydrolysis by phosphotriesterase from combined QM/MM simulations

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201103615

Structure of Diethyl Phosphate Bound to the Binuclear Metal Center of Phosphotriesterase † ‡

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201103615

Molecular dynamics simulations of the detoxification of paraoxon catalyzed by phosphotriesterase

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201103615

Specific Reaction Parametrization of the AM1/d Hamiltonian for Phosphoryl Transfer Reactions: H, O, and P Atoms

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201103615

Promiscuity in alkaline phosphatase superfamily. Unraveling evolution through molecular simulations.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201103615

Very fast empirical prediction and rationalization of protein pKa values

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201103615

Very fast prediction and rationalization of pKa values for protein-ligand complexes

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201103615

Mechanism for the hydrolysis of organophosphates by the bacterial phosphotriesterase

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201103615

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201103615

Theoretical Modeling on the Reaction Mechanism of p-Nitrophenylmethylphosphate Alkaline Hydrolysis and its Kinetic Isotope Effects

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201103615

Quantum mechanical/molecular mechanical simulation study of the mechanism of hairpin ribozyme catalysis

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201103615

The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201103615

Comparison of simple potential functions for simulating liquid water

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201103615

THE weighted histogram analysis method for free-energy calculations on biomolecules. I. The method

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201103615

Transition-state structures for enzymatic and alkaline phosphotriester hydrolysis.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201103615

QM/MM analysis suggests that Alkaline Phosphatase (AP) and nucleotide pyrophosphatase/phosphodiesterase slightly tighten the transition state for phosphate diester hydrolysis relative to solution: implication for catalytic promiscuity in the AP supe

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201103615

Nucleophilic Substitution at Phosphorus (SN2@P): Disappearance and Reappearance of Reaction Barriers

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201103615

Nucleophilic Substitution at Phosphorus Centers (SN2@P)

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201103615

Stepwise walden inversion in nucleophilic substitution at phosphorus

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201103615

21 January 2018

Identifiers

DOI

10.1002/CHEM.201103615

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22745111%20AND%20SRC:MED&resulttype=core&format=json

6 February 2020

1 reference