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Homology Modeling and Protein Interaction Map of CHRNA7 Neurogenesis Protein.

Yadav R, Deepshikha D, Srivastava P.

Ann Neurosci. 2017 Jul;24(3):173-179. doi: 10.1159/000477155. Epub 2017 Jul 24.


In search of novel ligands using a structure-based approach: a case study on the adenosine A2A receptor.

Lenselink EB, Beuming T, van Veen C, Massink A, Sherman W, van Vlijmen HW, IJzerman AP.

J Comput Aided Mol Des. 2016 Oct;30(10):863-874. Epub 2016 Sep 15.


The Implication of the First Agonist Bound Activated GPCR X-ray Structure on GPCR in Silico Modeling.

Tautermann CS, Pautsch A.

ACS Med Chem Lett. 2011 Mar 31;2(6):414-8. doi: 10.1021/ml100247s. eCollection 2011 Jun 9.


Genome-wide Membrane Protein Structure Prediction.

Piccoli S, Suku E, Garonzi M, Giorgetti A.

Curr Genomics. 2013 Aug;14(5):324-9. doi: 10.2174/13892029113149990009.


Structure-based approaches to ligands for G-protein-coupled adenosine and P2Y receptors, from small molecules to nanoconjugates.

Jacobson KA.

J Med Chem. 2013 May 23;56(10):3749-67. doi: 10.1021/jm400422s. Epub 2013 May 9. Review.


Homology models of melatonin receptors: challenges and recent advances.

Pala D, Lodola A, Bedini A, Spadoni G, Rivara S.

Int J Mol Sci. 2013 Apr 12;14(4):8093-121. doi: 10.3390/ijms14048093. Review.


Synthesis, biological activity and molecular modelling studies of tricyclic alkylimidazo-, pyrimido- and diazepinopurinediones.

Drabczyńska A, Karcz T, Szymańska E, Köse M, Müller CE, Paskaleva M, Karolak-Wojciechowska J, Handzlik J, Yuzlenko O, Kieć-Kononowicz K.

Purinergic Signal. 2013 Sep;9(3):395-414. doi: 10.1007/s11302-013-9358-3. Epub 2013 Apr 2.


New insights for drug design from the X-ray crystallographic structures of G-protein-coupled receptors.

Jacobson KA, Costanzi S.

Mol Pharmacol. 2012 Sep;82(3):361-71. doi: 10.1124/mol.112.079335. Epub 2012 Jun 13. Review.


Structure-guided design of A(3) adenosine receptor-selective nucleosides: combination of 2-arylethynyl and bicyclo[3.1.0]hexane substitutions.

Tosh DK, Deflorian F, Phan K, Gao ZG, Wan TC, Gizewski E, Auchampach JA, Jacobson KA.

J Med Chem. 2012 May 24;55(10):4847-60. doi: 10.1021/jm300396n. Epub 2012 May 16.


G protein-coupled adenosine (P1) and P2Y receptors: ligand design and receptor interactions.

Jacobson KA, Balasubramanian R, Deflorian F, Gao ZG.

Purinergic Signal. 2012 Sep;8(3):419-36. doi: 10.1007/s11302-012-9294-7. Epub 2012 Feb 29. Review.


Do crystal structures obviate the need for theoretical models of GPCRs for structure-based virtual screening?

Tang H, Wang XS, Hsieh JH, Tropsha A.

Proteins. 2012 Jun;80(6):1503-21. doi: 10.1002/prot.24035. Epub 2012 Mar 13.


Modeling of human prokineticin receptors: interactions with novel small-molecule binders and potential off-target drugs.

Levit A, Yarnitzky T, Wiener A, Meidan R, Niv MY.

PLoS One. 2011;6(11):e27990. doi: 10.1371/journal.pone.0027990. Epub 2011 Nov 21.


Evaluation of molecular modeling of agonist binding in light of the crystallographic structure of an agonist-bound A₂A adenosine receptor.

Deflorian F, Kumar TS, Phan K, Gao ZG, Xu F, Wu H, Katritch V, Stevens RC, Jacobson KA.

J Med Chem. 2012 Jan 12;55(1):538-52. doi: 10.1021/jm201461q. Epub 2011 Dec 12.


GPCR agonist binding revealed by modeling and crystallography.

Katritch V, Abagyan R.

Trends Pharmacol Sci. 2011 Nov;32(11):637-43. doi: 10.1016/ Epub 2011 Sep 6.


Structure of the adenosine A(2A) receptor in complex with ZM241385 and the xanthines XAC and caffeine.

Doré AS, Robertson N, Errey JC, Ng I, Hollenstein K, Tehan B, Hurrell E, Bennett K, Congreve M, Magnani F, Tate CG, Weir M, Marshall FH.

Structure. 2011 Sep 7;19(9):1283-93. doi: 10.1016/j.str.2011.06.014.


Class A GPCRs: a multifaceted reality.

Parravicini C, Sensi C, Eberini I.

Purinergic Signal. 2011 Sep;7(3):279-81. doi: 10.1007/s11302-011-9243-x. No abstract available.


Biophysical mapping of the adenosine A2A receptor.

Zhukov A, Andrews SP, Errey JC, Robertson N, Tehan B, Mason JS, Marshall FH, Weir M, Congreve M.

J Med Chem. 2011 Jul 14;54(13):4312-23. doi: 10.1021/jm2003798. Epub 2011 Jun 10.


Progress in structure based drug design for G protein-coupled receptors.

Congreve M, Langmead CJ, Mason JS, Marshall FH.

J Med Chem. 2011 Jul 14;54(13):4283-311. doi: 10.1021/jm200371q. Epub 2011 Jun 15. Review. No abstract available.


Comparison of three GPCR structural templates for modeling of the P2Y12 nucleotide receptor.

Deflorian F, Jacobson KA.

J Comput Aided Mol Des. 2011 Apr;25(4):329-38. doi: 10.1007/s10822-011-9423-3. Epub 2011 Apr 3.

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