(Q34183070)

31 July 2017

title

The dynamics of ligand barrier crossing inside the acetylcholinesterase gorge (English)

1 reference

31 July 2017

3

J Andrew McCammon

1 reference

31 July 2017

Jennifer M Bui

1

1 reference

31 July 2017

Richard H Henchman

series ordinal

2

1 reference

31 July 2017

language of work or name

English

0 references

publication date

1 October 2003

1 reference

31 July 2017

number of pages

6

1 reference

based on heuristic

inferred from page(s)

published in

Biophysical Journal

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31 July 2017

volume

85

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31 July 2017

issue

4

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31 July 2017

page(s)

2267-2272

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Transition path sampling: throwing ropes over rough mountain passes, in the dark.

31 July 2017

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303452

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

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303452

Steered molecular dynamics investigations of protein function.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303452

Structural determinants of MscL gating studied by molecular dynamics simulations

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303452

Conformation gating as a mechanism for enzyme specificity

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303452

Electrostatic influence on the kinetics of ligand binding to acetylcholinesterase. Distinctions between active center ligands and fasciculin

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303452

Acetylcholinesterase: role of the enzyme's charge distribution in steering charged ligands toward the active site

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303452

VMD: visual molecular dynamics

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303452

Aspartate 74 as a primary determinant in acetylcholinesterase governing specificity to cationic organophosphonates

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303452

Acetylcholinesterase inhibition by fasciculin: crystal structure of the complex

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303452

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

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303452

Dynamical theory of activated processes in globular proteins

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303452

Ion transport in a model gramicidin channel. Structure and thermodynamics

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303452

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

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303452

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

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303452

Acetylcholinesterase: electrostatic steering increases the rate of ligand binding.

28 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303452

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

28 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1303452

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

28 October 2018

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2803%2974651-7

Reaction-rate theory: fifty years after Kramers

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2803%2974651-7

Theoretical and experimental investigations of electrostatic effects on acetylcholinesterase catalysis and inhibition

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2803%2974651-7

Acetylthiocholine binds to asp74 at the peripheral site of human acetylcholinesterase as the first step in the catalytic pathway

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2803%2974651-7

Acetylcholinesterase: enzyme structure, reaction dynamics, and virtual transition states

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2803%2974651-7

Electrostatic steering of substrate to acetylcholinesterase: analysis of field fluctuations

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2803%2974651-7

10.1016/S0006-3495(03)74651-7

7 January 2021

Identifiers

DOI

1 reference

31 July 2017

1 reference

31 July 2017

1 reference