(Q83983274)

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29 January 2020

title

Nucleophilic attack on phosphate diesters: a density functional study of in-line reactivity in dianionic, monoanionic, and neutral systems (English)

1 reference

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29 January 2020

3

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29 January 2020

4

Darrin M York

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29 January 2020

5

Martin Karplus

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29 January 2020

author name string

Xabier Lopez

series ordinal

1

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29 January 2020

Annick Dejaegere

series ordinal

2

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29 January 2020

publication date

1 June 2006

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Journal of Physical Chemistry B

29 January 2020

published in

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29 January 2020

volume

110

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29 January 2020

issue

23

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29 January 2020

page(s)

11525-11539

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Ab Initio Investigation of Electron Detachment in Dicarboxylate Dianions

29 January 2020

cites work

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0603942

Thiolysis and alcoholysis of phosphate tri- and monoesters with alkyl and aryl leaving groups. An ab initio study in the gas phase.

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0603942

Compelling evidence for a stepwise mechanism of the alkaline cyclisation of uridine 3'-phosphate esters

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0603942

Hybrid QM/MM study of thio effects in transphosphorylation reactions

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0603942

Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0603942

Chemical models for ribozyme action

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0603942

The contribution of vibrational entropy to molecular association. The dimerization of insulin.

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0603942

Kinetics and Mechanisms for the Cleavage and Isomerization of the Phosphodiester Bonds of RNA by Brønsted Acids and Bases

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0603942

Chemistry. Seeing is believing

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0603942

Multilevel and density functional electronic structure calculations of proton affinities and gas-phase basicities involved in biological phosphoryl transfer

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0603942

Mechanistic alternatives in phosphate monoester hydrolysis: what conclusions can be drawn from available experimental data?

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0603942

Hybrid QM/MM study of thio effects in transphosphorylation reactions: the role of solvation

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0603942

Pseudorotation of natural and chemically modified biological phosphoranes: implications for RNA catalysis

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0603942

Theoretical studies of the hydroxide-catalyzed P-O cleavage reactions of neutral phosphate triesters and diesters in aqueous solution: examination of the changes induced by H/Me substitution

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0603942

Ras-catalyzed hydrolysis of GTP: a new perspective from model studies

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0603942

Estimating pKa values for pentaoxyphosphoranes

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0603942

Electrostatic Interactions That Determine the Rate of Pseudorotation Processes in Oxyphosphorane Intermediates: Implications with Respect to the Roles of Metal Ions in the Enzymatic Cleavage of RNA

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0603942

The structure and stability of biological metaphosphate, phosphate, and phosphorane compounds in the gas phase and in solution

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0603942

Solvation effects on reaction profiles by the polarizable continuum model coupled with the Gaussian density functional method

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0603942

Benchmark calculations of proton affinities and gas-phase basicities of molecules important in the study of biological phosphoryl transfer.

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/JP0603942

Identifiers

DOI

10.1021/JP0603942

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16771429%20AND%20SRC:MED&resulttype=core&format=json

29 January 2020

1 reference