Linear and Nonlinear 3D-QSAR Approaches in Tandem with Ligand-Based Homology Modeling as a Computational Strategy To Depict the Pyrazolo-Triazolo-Pyrimidine Antagonists Binding Site of the Human Adenosine A2A Receptor-Reference-Cited by-同舟云学术

Linear and Nonlinear 3D-QSAR Approaches in Tandem with Ligand-Based Homology Modeling as a Computational Strategy To Depict the Pyrazolo-Triazolo-Pyrimidine Antagonists Binding Site of the Human Adenosine A2A Receptor

Published:2008-01-24 Issue:2 Volume:48 Page:350-363
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Michielan Lisa¹,Bacilieri Magdalena¹,Schiesaro Andrea¹,Bolcato Chiara¹,Pastorin Giorgia¹,Spalluto Giampiero¹,Cacciari Barbara¹,Klotz Karl Norbet¹,Kaseda Chosei¹,Moro Stefano¹

Affiliation:

1. Molecular Modeling Section, Dipartimento di Scienze Farmaceutiche, Università di Padova, via Marzolo 5, I-35131 Padova, Italy, Dipartimento di Scienze Farmaceutiche, Università di Trieste, Piazzale Europa 1, I-34127 Trieste, Italy, Dipartimento di Scienze Farmaceutiche, Università degli Studi di Ferrara, Via Fossato di Mortara 17-19, I-44100 Ferrara, Italy, Institut für Pharmakologie, Universität of Würzburg, D-97078 Würzburg, Germany, and Yamatake Corporation, 1-12-2 Kawana, Fujisawa-shi Kanagawa 251...

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ci700300w

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4. Autocorrelation of Molecular Electrostatic Potential Surface Properties Combined with Partial Least Squares Analysis as Alternative Attractive Tool to Generate Ligand-Based 3D-QSARs

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