(Q39833422)

15 September 2017

title

Identification of optimum computational protocols for modeling the aryl hydrocarbon receptor (AHR) and its interaction with ligands (English)

1 reference

15 September 2017

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A20875740

21 July 2024

author name string

Stephan Reiling

2

1 reference

15 September 2017

Ashutosh S. Jogalekar

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A20875740

21 July 2024

Roy J. Vaz

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A20875740

21 July 2024

language of work or name

English

0 references

publication date

15 September 2010

1 reference

full work available at URL

15 September 2017

https://api.elsevier.com/content/article/PII:S0960894X10013107?httpAccept=text/xml

1 reference

https://api.crossref.org/works/10.1016/J.BMCL.2010.09.019

https://api.elsevier.com/content/article/PII:S0960894X10013107?httpAccept=text/plain

21 July 2024

1 reference

https://api.crossref.org/works/10.1016/J.BMCL.2010.09.019

Bioorganic & Medicinal Chemistry Letters

21 July 2024

published in

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15 September 2017

volume

20

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15 September 2017

issue

22

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15 September 2017

page(s)

6616-6619

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Induction of cyp1a1 is a nonspecific biomarker of aryl hydrocarbon receptor activation: results of large scale screening of pharmaceuticals and toxicants in vivo and in vitro

15 September 2017

cites work

1 reference

31 May 2024

https://opencitations.net/index/api/v1/citations/10.1124/MOL.106.032748

Activation of the aryl hydrocarbon receptor by structurally diverse exogenous and endogenous chemicals

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Ligand binding and activation of the Ah receptor

21 July 2024

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The Ah receptor: mediator of the toxicity of 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD) and related compounds

21 July 2024

3

1 reference

https://api.crossref.org/works/10.1016/J.BMCL.2010.09.019

The role of chaperone proteins in the aryl hydrocarbon receptor core complex

21 July 2024

5

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https://api.crossref.org/works/10.1016/J.BMCL.2010.09.019

Nuclear localization and export signals of the human aryl hydrocarbon receptor

21 July 2024

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https://api.crossref.org/works/10.1016/J.BMCL.2010.09.019

Analysis of the complex relationship between nuclear export and aryl hydrocarbon receptor-mediated gene regulation

21 July 2024

7

1 reference

https://api.crossref.org/works/10.1016/J.BMCL.2010.09.019

Modeling of the aryl hydrocarbon receptor (AhR) ligand binding domain and its utility in virtual ligand screening to predict new AhR ligands

21 July 2024

8

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Homology modelling of the nuclear receptors: human oestrogen receptorbeta (hERbeta), the human pregnane-X-receptor (PXR), the Ah receptor (AhR) and the constitutive androstane receptor (CAR) ligand binding domains from the human oestrogen receptor a

21 July 2024

9

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Detection of the TCDD binding-fingerprint within the Ah receptor ligand binding domain by structurally driven mutagenesis and functional analysis.

21 July 2024

10

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Identification of amino acid residues in the Ah receptor involved in ligand binding

21 July 2024

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https://api.crossref.org/works/10.1016/J.BMCL.2010.09.019

The midpoint method for parallelization of particle simulations

21 July 2024

13

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https://api.crossref.org/works/10.1016/J.BMCL.2010.09.019

A fast, scalable method for the parallel evaluation of distance-limited pairwise particle interactions.

21 July 2024

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The journal of physical chemistry

21 July 2024

15

91

Berendsen

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The Nose–Hoover thermostat

21 July 2024

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https://api.crossref.org/works/10.1016/J.BMCL.2010.09.019

New tricks for modelers from the crystallography toolkit: the particle mesh Ewald algorithm and its use in nucleic acid simulations

21 July 2024

18

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https://api.crossref.org/works/10.1016/J.BMCL.2010.09.019

Molecular interactions of toxic chlorinated dibenzo-p-dioxins and dibenzofurans with thyroxine binding prealbumin

21 July 2024

19

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Comparative toxicology and mechanism of action of polychlorinated dibenzo-p-dioxins and dibenzofurans

21 July 2024

20

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https://api.crossref.org/works/10.1016/J.BMCL.2010.09.019

Quantitative structure--activity relationships for inducers of cytochromes P450 and nuclear receptor ligands involved in P450 regulation within the CYP1, CYP2, CYP3 and CYP4 families

21 July 2024

21

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Probing phenylalanine/adenine pi-stacking interactions in protein complexes with explicitly correlated and CCSD(T) computations

21 July 2024

23

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https://api.crossref.org/works/10.1016/J.BMCL.2010.09.019

Rescoring Docking Hit Lists for Model Cavity Sites: Predictions and Experimental Testing

21 July 2024

24

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https://api.crossref.org/works/10.1016/J.BMCL.2010.09.019

MM-GB/SA rescoring of docking poses in structure-based lead optimization.

21 July 2024

25

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https://api.crossref.org/works/10.1016/J.BMCL.2010.09.019

Estimates of the ab initio limit for pi-pi interactions: the benzene dimer

21 July 2024

26

1 reference

https://api.crossref.org/works/10.1016/J.BMCL.2010.09.019

Aromatic-aromatic interactions in crystal structures of helical peptide scaffolds containing projecting phenylalanine residues

21 July 2024

27

1 reference

https://api.crossref.org/works/10.1016/J.BMCL.2010.09.019

A critical assessment of docking programs and scoring functions

21 July 2024

28

1 reference

https://api.crossref.org/works/10.1016/J.BMCL.2010.09.019

A detailed comparison of current docking and scoring methods on systems of pharmaceutical relevance

21 July 2024

29

1 reference

https://api.crossref.org/works/10.1016/J.BMCL.2010.09.019

An extensive test of 14 scoring functions using the PDBbind refined set of 800 protein-ligand complexes.

21 July 2024

30

1 reference

https://api.crossref.org/works/10.1016/J.BMCL.2010.09.019

Three-dimensional quantitative structure-activity relationships from molecular similarity matrices and genetic neural networks. 2. Applications.

21 July 2024

31

1 reference

https://api.crossref.org/works/10.1016/J.BMCL.2010.09.019

Role of the active-site solvent in the thermodynamics of factor Xa ligand binding

21 July 2024

32

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https://api.crossref.org/works/10.1016/J.BMCL.2010.09.019

21 July 2024

Identifiers

1 reference

release_napjsunumfbbjmdeymatmeans4

15 September 2017

Fatcat ID

1 reference

Fatcat

https://api.fatcat.wiki/v0/release/napjsunumfbbjmdeymatmeans4

mapped directly with Wikidata item

24 November 2022

based on heuristic

1 reference