Prediction of the binding sites of huperzine A in acetylcholinesterase by docking studies (Q49177167)

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scientific article published in December 1994

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Language	Label	Description	Also known as
English	Prediction of the binding sites of huperzine A in acetylcholinesterase by docking studies	scientific article published in December 1994

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instance of

scholarly article

1 reference

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Europe PubMed Central

PubMed publication ID

7738603

retrieved

18 February 2018

reference URL

http://europepmc.org/abstract/MED/7738603

title

Prediction of the binding sites of huperzine A in acetylcholinesterase by docking studies (English)

1 reference

stated in

Europe PubMed Central

PubMed publication ID

7738603

retrieved

18 February 2018

reference URL

http://europepmc.org/abstract/MED/7738603

author

Yuan-Ping Pang

series ordinal

1

1 reference

stated in

Europe PubMed Central

PubMed publication ID

7738603

retrieved

18 February 2018

reference URL

http://europepmc.org/abstract/MED/7738603

author name string

A P Kozikowski

series ordinal

2

1 reference

stated in

Europe PubMed Central

PubMed publication ID

7738603

retrieved

18 February 2018

reference URL

http://europepmc.org/abstract/MED/7738603

publication date

1 December 1994

1 reference

stated in

Europe PubMed Central

PubMed publication ID

7738603

retrieved

18 February 2018

reference URL

http://europepmc.org/abstract/MED/7738603

published in

Journal of Computer - Aided Molecular Design

1 reference

stated in

Europe PubMed Central

PubMed publication ID

7738603

retrieved

18 February 2018

reference URL

http://europepmc.org/abstract/MED/7738603

volume

8

1 reference

stated in

Europe PubMed Central

PubMed publication ID

7738603

retrieved

18 February 2018

reference URL

http://europepmc.org/abstract/MED/7738603

issue

6

1 reference

stated in

Europe PubMed Central

PubMed publication ID

7738603

retrieved

18 February 2018

reference URL

http://europepmc.org/abstract/MED/7738603

page(s)

669-681

1 reference

stated in

Europe PubMed Central

PubMed publication ID

7738603

retrieved

18 February 2018

reference URL

http://europepmc.org/abstract/MED/7738603

cites work

Docking by least-squares fitting of molecular surface patterns

1 reference

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PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7738603

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Mechanism of inhibition of cholinesterases by huperzine A

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7738603

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structure-based strategies for drug design and discovery

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7738603

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Energy functions for peptides and proteins. I. Derivation of a consistent force field including the hydrogen bond from amide crystals

1 reference

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PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7738603

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

An hypothetical structure for an intermolecular electron transfer complex of cytochromes c and b5

1 reference

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PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7738603

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Distance-constrained molecular docking by simulated annealing.

1 reference

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PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7738603

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Binding of a high affinity phosphotyrosyl peptide to the Src SH2 domain: crystal structures of the complexed and peptide-free forms

1 reference

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PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7738603

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Aromatic-aromatic interaction: a mechanism of protein structure stabilization

1 reference

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PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7738603

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Potencies and stereoselectivities of enantiomers of huperzine A for inhibition of rat cortical acetylcholinesterase

1 reference

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PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7738603

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

A geometric approach to macromolecule-ligand interactions

1 reference

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PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7738603

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Protein-protein recognition analyzed by docking simulation.

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7738603

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The Protein Data Bank: a computer-based archival file for macromolecular structures

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7738603

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Stereochemistry of charged nitrogen-aromatic interactions and its involvement in ligand-receptor binding

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7738603

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Optimization by Simulated Annealing

1 reference

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PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7738603

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12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Amino-aromatic interactions in proteins

1 reference

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PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7738603

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structure-based discovery of inhibitors of thymidylate synthase

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7738603

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Prediction of the structure of a receptor-protein complex using a binary docking method

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7738603

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Computer analysis of protein-protein interaction

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7738603

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Automated docking of substrates to proteins by simulated annealing

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7738603

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Dynamics of folded proteins

1 reference

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PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7738603

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Delineating the pharmacophoric elements of huperzine A: importance of the unsaturated three-carbon bridge to its AChE inhibitory activity

1 reference

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PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7738603

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Role of the peripheral anionic site on acetylcholinesterase: inhibition by substrates and coumarin derivatives

1 reference

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PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7738603

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Investigating protein-protein interaction surfaces using a reduced stereochemical and electrostatic model

1 reference

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PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7738603

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Quaternary ligand binding to aromatic residues in the active-site gorge of acetylcholinesterase

1 reference

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PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7738603

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

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

1 reference

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PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7738603

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

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

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7738603

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Aromatic rings act as hydrogen bond acceptors

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7738603

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Molecular recognition analyzed by docking simulations: the aspartate receptor and isocitrate dehydrogenase from Escherichia coli

1 reference

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PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7738603

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Prediction of the binding site of 1-benzyl-4-[(5,6-dimethoxy-1-indanon-2-yl)methyl]piperidine in acetylcholinesterase by docking studies with the SYSDOC program

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/7738603

retrieved

12 December 2020

based on heuristic

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Identifiers

DOI

10.1007/BF00124014

1 reference

stated in

Europe PubMed Central

PubMed publication ID

7738603

retrieved

18 February 2018

reference URL

http://europepmc.org/abstract/MED/7738603

DBLP publication ID

journals/jcamd/PangK94

1 reference

stated in

DBLP Dataset 2021-01-02

retrieved

28 January 2021

PubMed publication ID

7738603

1 reference

stated in

Europe PubMed Central

PubMed publication ID

7738603

retrieved

18 February 2018

reference URL

http://europepmc.org/abstract/MED/7738603

 

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