(Q33636089)

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Ligand and structure-based models for the prediction of ligand-receptor affinities and virtual screenings: Development and application to the beta(2)-adrenergic receptor

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Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19569204%20AND%20SRC:MED&resulttype=core&format=json

1 February 2020

Ligand and structure-based models for the prediction of ligand-receptor affinities and virtual screenings: Development and application to the beta(2)-adrenergic receptor (English)

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19569204%20AND%20SRC:MED&resulttype=core&format=json

1 February 2020

Stefano Costanzi

3

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Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19569204%20AND%20SRC:MED&resulttype=core&format=json

1 February 2020

author name string

Santiago Vilar

1

1 reference

Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19569204%20AND%20SRC:MED&resulttype=core&format=json

1 February 2020

Joel Karpiak

2

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19569204%20AND%20SRC:MED&resulttype=core&format=json

1 February 2020

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1 March 2010

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Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19569204%20AND%20SRC:MED&resulttype=core&format=json

1 February 2020

Journal of Computational Chemistry

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PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19569204%20AND%20SRC:MED&resulttype=core&format=json

1 February 2020

31

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19569204%20AND%20SRC:MED&resulttype=core&format=json

1 February 2020

4

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Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19569204%20AND%20SRC:MED&resulttype=core&format=json

1 February 2020

707-720

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19569204%20AND%20SRC:MED&resulttype=core&format=json

1 February 2020

The 2.6 angstrom crystal structure of a human A2A adenosine receptor bound to an antagonist

1 reference

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Structural basis for ligand binding and specificity in adrenergic receptors: implications for GPCR-targeted drug discovery.

1 reference

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Exploiting QSAR models in lead optimization.

1 reference

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Structure of a beta1-adrenergic G-protein-coupled receptor

1 reference

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A Specific Cholesterol Binding Site Is Established by the 2.8 Å Structure of the Human β2-Adrenergic Receptor

1 reference

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21 June 2018

Ligand and structure-based methodologies for the prediction of the activity of G protein-coupled receptor ligands

1 reference

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On the applicability of GPCR homology models to computer-aided drug discovery: a comparison between in silico and crystal structures of the beta2-adrenergic receptor.

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A virtual screen for diverse ligands: discovery of selective G protein-coupled receptor antagonists

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21 June 2018

Ligand-stabilized conformational states of human beta(2) adrenergic receptor: insight into G-protein-coupled receptor activation

1 reference

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High-resolution crystal structure of an engineered human beta2-adrenergic G protein-coupled receptor

1 reference

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GPCR engineering yields high-resolution structural insights into beta2-adrenergic receptor function

1 reference

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Ligand docking and structure-based virtual screening in drug discovery

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A critical assessment of docking programs and scoring functions

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The application of a 3D-QSAR (autoMEP/PLS) approach as an efficient pharmacodynamic-driven filtering method for small-sized virtual library: application to a lead optimization of a human A3 adenosine receptor antagonist

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Autocorrelation of molecular electrostatic potential surface properties combined with partial least squares analysis as new strategy for the prediction of the activity of human A(3) adenosine receptor antagonists

1 reference

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21 June 2018

Predicted 3D structure for the human beta 2 adrenergic receptor and its binding site for agonists and antagonists

1 reference

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Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models

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Crystal structure of rhodopsin: A G protein-coupled receptor

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21 June 2018

Ser203 as well as Ser204 and Ser207 in fifth transmembrane domain of the human beta2-adrenoceptor contributes to agonist binding and receptor activation

1 reference

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21 June 2018

Structure and function of G protein-coupled receptors

1 reference

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The meaning and use of the area under a receiver operating characteristic (ROC) curve

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Multiple linear regression is a useful alternative to traditional analyses of variance

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Selective structure-based virtual screening for full and partial agonists of the beta2 adrenergic receptor

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Prediction of the 3D structure and dynamics of human DP G-protein coupled receptor bound to an agonist and an antagonist

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Identifiers

10.1002/JCC.21346

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19569204%20AND%20SRC:MED&resulttype=core&format=json

1 February 2020

DBLP publication ID

journals/jcc/VilarKC10

1 reference

DBLP Dataset 2021-01-02

28 January 2021

PMC publication ID

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19569204%20AND%20SRC:MED&resulttype=core&format=json

1 February 2020

PubMed publication ID

1 reference

Europe PubMed Central

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1 February 2020

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