These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
2. Characterization of Ligand Binding to GPCRs Through Computational Methods. Vasile S; Esguerra M; Jespers W; Oliveira A; Sallander J; Åqvist J; Gutiérrez-de-Terán H Methods Mol Biol; 2018; 1705():23-44. PubMed ID: 29188557 [TBL] [Abstract][Full Text] [Related]
3. Effect of hydrophobic and hydrogen bonding interactions on the potency of ß-alanine analogs of G-protein coupled glucagon receptor inhibitors. Venugopal PP; Das BK; Soorya E; Chakraborty D Proteins; 2020 Feb; 88(2):327-344. PubMed ID: 31443129 [TBL] [Abstract][Full Text] [Related]
5. Molecular mechanisms of ligand binding, signaling, and regulation within the superfamily of G-protein-coupled receptors: molecular modeling and mutagenesis approaches to receptor structure and function. Kristiansen K Pharmacol Ther; 2004 Jul; 103(1):21-80. PubMed ID: 15251227 [TBL] [Abstract][Full Text] [Related]
6. Extracellular surface residues of the α1B-adrenoceptor critical for G protein-coupled receptor function. Ragnarsson L; Andersson Å; Thomas WG; Lewis RJ Mol Pharmacol; 2015 Jan; 87(1):121-9. PubMed ID: 25352041 [TBL] [Abstract][Full Text] [Related]
7. A structural chemogenomics analysis of aminergic GPCRs: lessons for histamine receptor ligand design. Kooistra AJ; Kuhne S; de Esch IJ; Leurs R; de Graaf C Br J Pharmacol; 2013 Sep; 170(1):101-26. PubMed ID: 23713847 [TBL] [Abstract][Full Text] [Related]
9. Structural determinants for ligand-receptor conformational selection in a peptide G protein-coupled receptor. Lu ZL; Coetsee M; White CD; Millar RP J Biol Chem; 2007 Jun; 282(24):17921-9. PubMed ID: 17452338 [TBL] [Abstract][Full Text] [Related]
10. Ligand binding and activation of UTP-activated G protein-coupled P2Y Attah IY; Neumann A; Al-Hroub H; Rafehi M; Baqi Y; Namasivayam V; Müller CE Biochim Biophys Acta Gen Subj; 2020 Mar; 1864(3):129501. PubMed ID: 31812541 [TBL] [Abstract][Full Text] [Related]
11. A Metadynamics-Based Protocol for the Determination of GPCR-Ligand Binding Modes. Söldner CA; Horn AHC; Sticht H Int J Mol Sci; 2019 Apr; 20(8):. PubMed ID: 31013635 [TBL] [Abstract][Full Text] [Related]
12. Modeling small molecule-compound binding to G-protein-coupled receptors. Vaidehi N; Pease JE; Horuk R Methods Enzymol; 2009; 460():263-88. PubMed ID: 19446730 [TBL] [Abstract][Full Text] [Related]
13. Ligand and structure-based methodologies for the prediction of the activity of G protein-coupled receptor ligands. Costanzi S; Tikhonova IG; Harden TK; Jacobson KA J Comput Aided Mol Des; 2009 Nov; 23(11):747-54. PubMed ID: 18483766 [TBL] [Abstract][Full Text] [Related]
14. Synergistic Use of GPCR Modeling and SDM Experiments to Understand Ligand Binding. Potterton A; Heifetz A; Townsend-Nicholson A Methods Mol Biol; 2018; 1705():335-343. PubMed ID: 29188570 [TBL] [Abstract][Full Text] [Related]
15. GPCRs through the keyhole: the role of protein flexibility in ligand binding to β-adrenoceptors. Emtage AL; Mistry SN; Fischer PM; Kellam B; Laughton CA J Biomol Struct Dyn; 2017 Sep; 35(12):2604-2619. PubMed ID: 27532213 [TBL] [Abstract][Full Text] [Related]
16. Integrating Pharmacophore into Membrane Molecular Dynamics Simulations to Improve Homology Modeling of G Protein-coupled Receptors with Ligand Selectivity: A2A Adenosine Receptor as an Example. Zeng L; Guan M; Jin H; Liu Z; Zhang L Chem Biol Drug Des; 2015 Dec; 86(6):1438-50. PubMed ID: 26072970 [TBL] [Abstract][Full Text] [Related]
17. Accurate Prediction of GPCR Ligand Binding Affinity with Free Energy Perturbation. Deflorian F; Perez-Benito L; Lenselink EB; Congreve M; van Vlijmen HWT; Mason JS; Graaf C; Tresadern G J Chem Inf Model; 2020 Nov; 60(11):5563-5579. PubMed ID: 32539374 [TBL] [Abstract][Full Text] [Related]
18. Metadynamics simulations of ligand binding to GPCRs. Ibrahim P; Clark T Curr Opin Struct Biol; 2019 Apr; 55():129-137. PubMed ID: 31100549 [TBL] [Abstract][Full Text] [Related]
19. FoldGPCR: structure prediction protocol for the transmembrane domain of G protein-coupled receptors from class A. Michino M; Chen J; Stevens RC; Brooks CL Proteins; 2010 Aug; 78(10):2189-201. PubMed ID: 20544957 [TBL] [Abstract][Full Text] [Related]