(Q40233237)

English

State-of-the-art tools for computational site of metabolism predictions: comparative analysis, mechanistical insights, and future applications

scientific article published on January 2007

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scholarly article

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Europe PubMed Central

PubMed publication ID

18 September 2017

State-of-the-art tools for computational site of metabolism predictions: comparative analysis, mechanistical insights, and future applications (English)

1 reference

Europe PubMed Central

PubMed publication ID

18 September 2017

author name string

Lovisa Afzelius

1

1 reference

Europe PubMed Central

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18 September 2017

Catrin Hasselgren Arnby

2

1 reference

Europe PubMed Central

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18 September 2017

Anders Broo

3

1 reference

Europe PubMed Central

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18 September 2017

Lars Carlsson

4

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Europe PubMed Central

PubMed publication ID

18 September 2017

Christine Isaksson

5

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Europe PubMed Central

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18 September 2017

Ulrik Jurva

6

1 reference

Europe PubMed Central

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18 September 2017

Britta Kjellander

7

1 reference

Europe PubMed Central

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18 September 2017

Karin Kolmodin

8

1 reference

Europe PubMed Central

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18 September 2017

Kristina Nilsson

9

1 reference

Europe PubMed Central

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18 September 2017

Florian Raubacher

10

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18 September 2017

Lars Weidolf

11

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18 September 2017

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publication date

1 January 2007

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18 September 2017

Drug Metabolism Reviews

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18 September 2017

39

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18 September 2017

1

1 reference

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18 September 2017

61-86

1 reference

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PubMed publication ID

18 September 2017

MetaSite: understanding metabolism in human cytochromes from the perspective of the chemist

1 reference

https://api.crossref.org/works/10.1080%2F03602530600969374

21 January 2018

Catalytic site prediction and virtual screening of cytochrome P450 2D6 substrates by consideration of water and rescoring in automated docking.

1 reference

https://api.crossref.org/works/10.1080%2F03602530600969374

21 January 2018

Cytochrome p450 in silico: an integrative modeling approach.

1 reference

https://api.crossref.org/works/10.1080%2F03602530600969374

21 January 2018

Development of a combined protein and pharmacophore model for cytochrome P450 2C9.

1 reference

https://api.crossref.org/works/10.1080%2F03602530600969374

21 January 2018

Structural basis for ligand promiscuity in cytochrome P450 3A4.

1 reference

https://api.crossref.org/works/10.1080%2F03602530600969374

21 January 2018

Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy

1 reference

https://api.crossref.org/works/10.1080%2F03602530600969374

21 January 2018

Automatic generation of 3D-atomic coordinates for organic molecules

1 reference

https://api.crossref.org/works/10.1080%2F03602530600969374

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1080%2F03602530600969374

21 January 2018

Common and uncommon cytochrome P450 reactions related to metabolism and chemical toxicity

1 reference

https://api.crossref.org/works/10.1080%2F03602530600969374

21 January 2018

Kinetics and thermodynamics of ligand binding by cytochrome P450 3A4.

1 reference

https://api.crossref.org/works/10.1080%2F03602530600969374

21 January 2018

Impact of incorporating the 2C5 crystal structure into comparative models of cytochrome P450 2D6.

1 reference

https://api.crossref.org/works/10.1080%2F03602530600969374

21 January 2018

High-resolution crystal structure of cytochrome P450cam

1 reference

https://api.crossref.org/works/10.1080%2F03602530600969374

21 January 2018

Crystal structure of human cytochrome P450 2D6

1 reference

https://api.crossref.org/works/10.1080%2F03602530600969374

21 January 2018

The catalytic pathway of cytochrome p450cam at atomic resolution

1 reference

https://api.crossref.org/works/10.1080%2F03602530600969374

21 January 2018

Structure of human microsomal cytochrome P450 2C8. Evidence for a peripheral fatty acid binding site

1 reference

https://api.crossref.org/works/10.1080%2F03602530600969374

21 January 2018

Homology modeling of rat and human cytochrome P450 2D (CYP2D) isoforms and computational rationalization of experimental ligand-binding specificities.

1 reference

https://api.crossref.org/works/10.1080%2F03602530600969374

21 January 2018

Structure of a substrate complex of mammalian cytochrome P450 2C5 at 2.3 A resolution: evidence for multiple substrate binding modes

1 reference

https://api.crossref.org/works/10.1080%2F03602530600969374

21 January 2018

Structure of mammalian cytochrome P450 2C5 complexed with diclofenac at 2.1 A resolution: evidence for an induced fit model of substrate binding

1 reference

https://api.crossref.org/works/10.1080%2F03602530600969374

21 January 2018

The structure of human cytochrome P450 2C9 complexed with flurbiprofen at 2.0-A resolution

1 reference

https://api.crossref.org/works/10.1080%2F03602530600969374

21 January 2018

Mammalian microsomal cytochrome P450 monooxygenase: structural adaptations for membrane binding and functional diversity

1 reference

https://api.crossref.org/works/10.1080%2F03602530600969374

21 January 2018

Crystal structure of human cytochrome P450 2C9 with bound warfarin

1 reference

https://api.crossref.org/works/10.1080%2F03602530600969374

21 January 2018

Crystal structures of human cytochrome P450 3A4 bound to metyrapone and progesterone

1 reference

https://api.crossref.org/works/10.1080%2F03602530600969374

21 January 2018

Structures of human microsomal cytochrome P450 2A6 complexed with coumarin and methoxsalen

1 reference

https://api.crossref.org/works/10.1080%2F03602530600969374

21 January 2018

The structure of human microsomal cytochrome P450 3A4 determined by X-ray crystallography to 2.05-A resolution

1 reference

https://api.crossref.org/works/10.1080%2F03602530600969374

21 January 2018

The Substrate Binding Site of Human Liver Cytochrome P450 2C9: An Approach Using Designed Tienilic Acid Derivatives and Molecular Modeling

1 reference

https://api.crossref.org/works/10.1080%2F03602530600969374

21 January 2018

Conformer- and Alignment-Independent Model for Predicting Structurally Diverse Competitive CYP2C9 Inhibitors

1 reference

https://api.crossref.org/works/10.1080%2F03602530600969374

21 January 2018

Predicting Drug Metabolism: A Site of Metabolism Prediction Tool Applied to the Cytochrome P450 2C9

1 reference

https://api.crossref.org/works/10.1080%2F03602530600969374

21 January 2018

Identifiers

10.1080/03602530600969374

1 reference

Europe PubMed Central

PubMed publication ID

18 September 2017

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

18 September 2017

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