(Q43868923)

27 November 2017

title

Estimation of binding affinities for celecoxib analogues with COX-2 via Monte Carlo-extended linear response (English)

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27 November 2017

2

William L Jorgensen

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27 November 2017

Steven S Wesolowski

1

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27 November 2017

language of work or name

English

0 references

publication date

1 February 2002

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Bioorganic & Medicinal Chemistry Letters

27 November 2017

published in

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27 November 2017

volume

12

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27 November 2017

issue

3

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27 November 2017

page(s)

267-270

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Chemoprevention comes to clinical practice: COX-2 inhibition in familial adenomatous polyposis

27 November 2017

cites work

1 reference

https://api.crossref.org/works/10.1016%2FS0960-894X%2801%2900825-3

7 January 2021

Rationale for the observed COX-2/COX-1 selectivity of celecoxib from Monte Carlo simulations

1 reference

https://api.crossref.org/works/10.1016%2FS0960-894X%2801%2900825-3

7 January 2021

A new method for predicting binding affinity in computer-aided drug design

1 reference

https://api.crossref.org/works/10.1016%2FS0960-894X%2801%2900825-3

7 January 2021

Estimation of binding affinities for HEPT and nevirapine analogues with HIV-1 reverse transcriptase via Monte Carlo simulations

1 reference

https://api.crossref.org/works/10.1016%2FS0960-894X%2801%2900825-3

7 January 2021

Estimation of binding affinities for selective thrombin inhibitors via Monte Carlo simulations.

1 reference

https://api.crossref.org/works/10.1016%2FS0960-894X%2801%2900825-3

7 January 2021

Synthesis and biological evaluation of the 1,5-diarylpyrazole class of cyclooxygenase-2 inhibitors: identification of 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benze nesulfonamide (SC-58635, celecoxib).

1 reference

https://api.crossref.org/works/10.1016%2FS0960-894X%2801%2900825-3

7 January 2021

Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents

1 reference

https://api.crossref.org/works/10.1016%2FS0960-894X%2801%2900825-3

7 January 2021

Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids

1 reference

https://api.crossref.org/works/10.1016%2FS0960-894X%2801%2900825-3

7 January 2021

10.1016/S0960-894X(01)00825-3

Identifiers

DOI

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27 November 2017

1 reference