Literature DB >> 14695622

Ligand-supported homology modeling of g-protein-coupled receptor sites: models sufficient for successful virtual screening.

Andreas Evers1, Gerhard Klebe.   

Abstract

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Year:  2004        PMID： 14695622     DOI： 10.1002/anie.200352776

Source DB:  PubMed          Journal:  Angew Chem Int Ed Engl        ISSN： 1433-7851            Impact factor:   15.336


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  22 in total

Review 1.  Virtual screening of chemical libraries.

Authors:  Brian K Shoichet
Journal:  Nature       Date:  2004-12-16       Impact factor: 49.962

Review 2.  Homology modeling of opioid receptor-ligand complexes using experimental constraints.

Authors:  Irina D Pogozheva; Magdalena J Przydzial; Henry I Mosberg
Journal:  AAPS J       Date:  2005-10-05       Impact factor: 4.009

3.  Chromophore channeling in the G-protein coupled receptor rhodopsin.

Authors:  Ting Wang; Yong Duan
Journal:  J Am Chem Soc       Date:  2007-05-15       Impact factor: 15.419

Review 4.  Docking Screens for Novel Ligands Conferring New Biology.

Authors:  John J Irwin; Brian K Shoichet
Journal:  J Med Chem       Date:  2016-03-15       Impact factor: 7.446

5.  Homology Model and Docking-Based Virtual Screening for Ligands of the σ1 Receptor.

Authors:  Erik Laurini; Valentina Dal Col; Maria Grazia Mamolo; Daniele Zampieri; Paola Posocco; Maurizio Fermeglia; Luciano Vio; Sabrina Pricl
Journal:  ACS Med Chem Lett       Date:  2011-08-27       Impact factor: 4.345

6.  Virtual ligand screening against comparative protein structure models.

Authors:  Hao Fan; John J Irwin; Andrej Sali
Journal:  Methods Mol Biol       Date:  2012

7.  Homology modeling, force field design, and free energy simulation studies to optimize the activities of histone deacetylase inhibitors.

Authors:  Hwangseo Park; Sangyoub Lee
Journal:  J Comput Aided Mol Des       Date:  2004-06       Impact factor: 3.686

8.  Forced unbinding of GPR17 ligands from wild type and R255I mutant receptor models through a computational approach.

Authors:  Chiara Parravicini; Maria P Abbracchio; Piercarlo Fantucci; Graziella Ranghino
Journal:  BMC Struct Biol       Date:  2010-03-16

9.  Identification, structure-activity relationships and molecular modeling of potent triamine and piperazine opioid ligands.

Authors:  Austin B Yongye; Jon R Appel; Marc A Giulianotti; Colette T Dooley; Jose L Medina-Franco; Adel Nefzi; Richard A Houghten; Karina Martínez-Mayorga
Journal:  Bioorg Med Chem       Date:  2009-06-21       Impact factor: 3.641

10.  Molecular docking screens using comparative models of proteins.

Authors:  Hao Fan; John J Irwin; Benjamin M Webb; Gerhard Klebe; Brian K Shoichet; Andrej Sali
Journal:  J Chem Inf Model       Date:  2009-11       Impact factor: 4.956
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