(Q40206787)

18 September 2017

Properties of water molecules in the active site gorge of acetylcholinesterase from computer simulation (English)

1 reference

18 September 2017

1 reference

4

J Andrew McCammon

1 reference

18 September 2017

2

0 references

author name string

Richard H Henchman

series ordinal

1

1 reference

18 September 2017

Kaihsu Tai

series ordinal

2

1 reference

18 September 2017

Tongye Shen

series ordinal

3

1 reference

18 September 2017

language of work or name

English

0 references

publication date

1 May 2002

1 reference

18 September 2017

1 reference

18 September 2017

82

1 reference

18 September 2017

5

1 reference

18 September 2017

2671-2682

1 reference

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

18 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302056

Acetylcholinesterase--new roles for an old actor

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302056

Cholinesterase inhibitors for Alzheimer's disease.

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302056

Residence times of water molecules in the hydration sites of myoglobin

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302056

Water penetration and escape in proteins

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302056

Water molecules in the binding cavity of intestinal fatty acid binding protein: dynamic characterization by water 17O and 2H magnetic relaxation dispersion

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302056

Drugs and myasthenia gravis. An update

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302056

Acetylcholinesterase inhibition by fasciculin: crystal structure of the complex

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302056

Rational design of potent, bioavailable, nonpeptide cyclic ureas as HIV protease inhibitors

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302056

Hydration of proteins. A comparison of experimental residence times of water molecules solvating the bovine pancreatic trypsin inhibitor with theoretical model calculations

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302056

A computational procedure for determining energetically favorable binding sites on biologically important macromolecules

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302056

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

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302056

Catalysis by acetylcholinesterase: evidence that the rate-limiting step for acylation with certain substrates precedes general acid-base catalysis

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302056

Hydration in protein crystallography

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302056

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

25 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302056

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

15 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302056

Thermodynamic stability of water molecules in the bacteriorhodopsin proton channel: a molecular dynamics free energy perturbation study

15 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302056

Buried waters and internal cavities in monomeric proteins

15 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302056

Ordered water and ligand mobility in the HIV-1 integrase-5CITEP complex: a molecular dynamics study.

15 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302056

Molecular dynamics of mouse acetylcholinesterase complexed with huperzine A.

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302056

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

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302056

Active-site gorge and buried water molecules in crystal structures of acetylcholinesterase from Torpedo californica 1 1Edited by R. Huber

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302056

Molecular dynamics with coupling to an external bath

2 December 2018

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2802%2975609-9

Solvent effects on protein motion and protein effects on solvent motion. Dynamics of the active site region of lysozyme

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2802%2975609-9

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

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2802%2975609-9

Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2802%2975609-9

Protein hydration dynamics in aqueous solution

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2802%2975609-9

Water penetration and escape in proteins

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2802%2975609-9

Kinetics of acetylthiocholine binding to electric eel acetylcholinesterase in glycerol/water solvents of increased viscosity. Evidence for a diffusion-controlled reaction

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2802%2975609-9

Hydration energy landscape of the active site cavity in cytochrome P450cam

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2802%2975609-9

Dynamics of internal water in fatty acid binding protein: computer simulations and comparison with experiments

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2802%2975609-9

Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2802%2975609-9

Determination of water structure around biomolecules using X-ray and neutron diffraction methods

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2802%2975609-9

Hydrophilicity of cavities in proteins

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2802%2975609-9

A 240-Fold Electrostatic Rate-Enhancement for Acetylcholinesterase−Substrate Binding Can Be Predicted by the Potential within the Active Site

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2802%2975609-9

Hydration energy landscape of the active site cavity in cytochrome P450cam

7 January 2021

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/11964254

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

How many water molecules can be detected by protein crystallography?

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/11964254

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1016/S0006-3495(02)75609-9

1 reference

18 September 2017

1 reference

18 September 2017

1 reference