(Q42800836)

English

Active site gating and substrate specificity of butyrylcholinesterase and acetylcholinesterase: insights from molecular dynamics simulations

scientific article published on 17 June 2011

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scholarly article

1 reference

Europe PubMed Central

PMC publication ID

7 November 2017

Active site gating and substrate specificity of butyrylcholinesterase and acetylcholinesterase: insights from molecular dynamics simulations (English)

1 reference

Europe PubMed Central

PMC publication ID

7 November 2017

author name string

Lei Fang

1

1 reference

Europe PubMed Central

PMC publication ID

7 November 2017

Yongmei Pan

2

1 reference

Europe PubMed Central

PMC publication ID

7 November 2017

Jennifer L Muzyka

3

1 reference

Europe PubMed Central

PMC publication ID

7 November 2017

Chang-Guo Zhan

4

1 reference

Europe PubMed Central

PMC publication ID

7 November 2017

language of work or name

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publication date

17 June 2011

1 reference

Europe PubMed Central

PMC publication ID

7 November 2017

Journal of Physical Chemistry B

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Europe PubMed Central

PMC publication ID

7 November 2017

115

1 reference

Europe PubMed Central

PMC publication ID

7 November 2017

27

1 reference

Europe PubMed Central

PMC publication ID

7 November 2017

8797-8805

1 reference

Europe PubMed Central

PMC publication ID

7 November 2017

Model of human butyrylcholinesterase tetramer by homology modeling and dynamics simulation

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3135420

27 May 2018

Most efficient cocaine hydrolase designed by virtual screening of transition states

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3135420

27 May 2018

Dynamics of the acetylcholinesterase tetramer

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3135420

27 May 2018

Computational design of a human butyrylcholinesterase mutant for accelerating cocaine hydrolysis based on the transition-state simulation

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3135420

27 May 2018

Computational redesign of human butyrylcholinesterase for anticocaine medication

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3135420

27 May 2018

Molecular dynamics simulations of human butyrylcholinesterase.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3135420

27 May 2018

The synaptic acetylcholinesterase tetramer assembles around a polyproline II helix

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3135420

27 May 2018

A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3135420

27 May 2018

Crystal structure of human butyrylcholinesterase and of its complexes with substrate and products

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3135420

27 May 2018

Molecular dynamics of acetylcholinesterase

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3135420

27 May 2018

Analysis of a 10-ns molecular dynamics simulation of mouse acetylcholinesterase

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3135420

27 May 2018

Structures of recombinant native and E202Q mutant human acetylcholinesterase complexed with the snake-venom toxin fasciculin-II

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3135420

27 May 2018

Conformational flexibility of the acetylcholinesterase tetramer suggested by x-ray crystallography

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3135420

27 May 2018

Molecular dynamics of mouse acetylcholinesterase complexed with huperzine A.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3135420

27 May 2018

Mouse acetylcholinesterase unliganded and in complex with huperzine A: a comparison of molecular dynamics simulations

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3135420

27 May 2018

Crystal structure of mouse acetylcholinesterase. A peripheral site-occluding loop in a tetrameric assembly

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3135420

27 May 2018

Conformation gating as a mechanism for enzyme specificity

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3135420

27 May 2018

Enhancing cocaine metabolism with butyrylcholinesterase as a treatment strategy

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3135420

27 May 2018

Acetylcholinesterase inhibition by fasciculin: crystal structure of the complex

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3135420

27 May 2018

An electrostatic mechanism for substrate guidance down the aromatic gorge of acetylcholinesterase

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3135420

27 May 2018

Solvent-accessible surfaces of proteins and nucleic acids

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3135420

27 May 2018

Atomic Structure of Acetylcholinesterase from Torpedo californica : A Prototypic Acetylcholine-Binding Protein

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3135420

27 May 2018

Active-site determinations on forms of mammalian brain and eel acetylcholinesterase

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3135420

27 May 2018

Influence of the Acetylcholinesterase Active Site Protonation on Omega Loop and Active Site Dynamics

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3135420

16 August 2018

Lamellipodin proline rich peptides associated with native plasma butyrylcholinesterase tetramers

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3135420

16 August 2018

Acetylcholinesterase: enhanced fluctuations and alternative routes to the active site in the complex with fasciculin-2.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3135420

16 August 2018

Wild-type and A328W mutant human butyrylcholinesterase tetramers expressed in Chinese hamster ovary cells have a 16-hour half-life in the circulation and protect mice from cocaine toxicity

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3135420

16 August 2018

Re-engineering butyrylcholinesterase as a cocaine hydrolase

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3135420

16 August 2018

Mechanism of acetylcholinesterase inhibition by fasciculin: a 5-ns molecular dynamics simulation.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3135420

16 August 2018

Engineering of a monomeric and low-glycosylated form of human butyrylcholinesterase: expression, purification, characterization and crystallization

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3135420

16 August 2018

An improved cocaine hydrolase: the A328Y mutant of human butyrylcholinesterase is 4-fold more efficient.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3135420

16 August 2018

Open "back door" in a molecular dynamics simulation of acetylcholinesterase.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3135420

16 August 2018

The Molecular Forms of Cholinesterase and Acetylcholinesterase in Vertebrates

1 reference

https://pubmed.ncbi.nlm.nih.gov/21682268

12 December 2020

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Identifiers

10.1021/JP112030P

1 reference

Europe PubMed Central

PMC publication ID

7 November 2017

PMC publication ID

1 reference

Europe PubMed Central

PMC publication ID

7 November 2017

PubMed publication ID

1 reference

Europe PubMed Central

PMC publication ID

7 November 2017

ResearchGate publication ID

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