221 related articles for article (PubMed ID: 25030302)
41. Assessing GPCR homology models constructed from templates of various transmembrane sequence identities: Binding mode prediction and docking enrichment.
Loo JSE; Emtage AL; Ng KW; Yong ASJ; Doughty SW
J Mol Graph Model; 2018 Mar; 80():38-47. PubMed ID: 29306746
[TBL] [Abstract][Full Text] [Related]
42. Structure-based identification of binding sites, native ligands and potential inhibitors for G-protein coupled receptors.
Cavasotto CN; Orry AJ; Abagyan RA
Proteins; 2003 May; 51(3):423-33. PubMed ID: 12696053
[TBL] [Abstract][Full Text] [Related]
43. Alternative quality assessment strategy to compare performances of GPCR-ligand docking protocols: the human adenosine A(2A) receptor as a case study.
Ciancetta A; Cuzzolin A; Moro S
J Chem Inf Model; 2014 Aug; 54(8):2243-54. PubMed ID: 25046649
[TBL] [Abstract][Full Text] [Related]
44. New strategy for receptor-based pharmacophore query construction: a case study for 5-HT₇ receptor ligands.
Kurczab R; Bojarski AJ
J Chem Inf Model; 2013 Dec; 53(12):3233-43. PubMed ID: 24245803
[TBL] [Abstract][Full Text] [Related]
45. Structural basis for molecular recognition at serotonin receptors.
Wang C; Jiang Y; Ma J; Wu H; Wacker D; Katritch V; Han GW; Liu W; Huang XP; Vardy E; McCorvy JD; Gao X; Zhou XE; Melcher K; Zhang C; Bai F; Yang H; Yang L; Jiang H; Roth BL; Cherezov V; Stevens RC; Xu HE
Science; 2013 May; 340(6132):610-4. PubMed ID: 23519210
[TBL] [Abstract][Full Text] [Related]
46. Bridging molecular docking to membrane molecular dynamics to investigate GPCR-ligand recognition: the human A₂A adenosine receptor as a key study.
Sabbadin D; Ciancetta A; Moro S
J Chem Inf Model; 2014 Jan; 54(1):169-83. PubMed ID: 24359090
[TBL] [Abstract][Full Text] [Related]
47. Improving the Modeling of Extracellular Ligand Binding Pockets in RosettaGPCR for Conformational Selection.
Liessmann F; Künze G; Meiler J
Int J Mol Sci; 2023 Apr; 24(9):. PubMed ID: 37175495
[TBL] [Abstract][Full Text] [Related]
48. Evaluating the performance of MM/PBSA for binding affinity prediction using class A GPCR crystal structures.
Yau MQ; Emtage AL; Chan NJY; Doughty SW; Loo JSE
J Comput Aided Mol Des; 2019 May; 33(5):487-496. PubMed ID: 30989574
[TBL] [Abstract][Full Text] [Related]
49. Biased Ligands Differentially Shape the Conformation of the Extracellular Loop Region in 5-HT
Denzinger K; Nguyen TN; Noonan T; Wolber G; Bermudez M
Int J Mol Sci; 2020 Dec; 21(24):. PubMed ID: 33419260
[TBL] [Abstract][Full Text] [Related]
50. Class A GPCRs: Structure, Function, Modeling and Structure-based Ligand Design.
Cong X; Topin J; Golebiowski J
Curr Pharm Des; 2017 Nov; 23(29):4390-4409. PubMed ID: 28699533
[TBL] [Abstract][Full Text] [Related]
51. Using physics-based pose predictions and free energy perturbation calculations to predict binding poses and relative binding affinities for FXR ligands in the D3R Grand Challenge 2.
Athanasiou C; Vasilakaki S; Dellis D; Cournia Z
J Comput Aided Mol Des; 2018 Jan; 32(1):21-44. PubMed ID: 29119352
[TBL] [Abstract][Full Text] [Related]
52. GPCR Homology Model Generation for Lead Optimization.
Tautermann CS
Methods Mol Biol; 2018; 1705():115-131. PubMed ID: 29188560
[TBL] [Abstract][Full Text] [Related]
53. Multi-Step Protocol for Automatic Evaluation of Docking Results Based on Machine Learning Methods--A Case Study of Serotonin Receptors 5-HT(6) and 5-HT(7).
Smusz S; Mordalski S; Witek J; Rataj K; Kafel R; Bojarski AJ
J Chem Inf Model; 2015 Apr; 55(4):823-32. PubMed ID: 25806997
[TBL] [Abstract][Full Text] [Related]
54. Towards the development of 5-HT₇ ligands combining serotonin-like and arylpiperazine moieties.
Spadoni G; Bedini A; Bartolucci S; Pala D; Mor M; Riccioni T; Borsini F; Cabri W; Celona D; Marzi M; Tarzia G; Rivara S; Minetti P
Eur J Med Chem; 2014 Jun; 80():8-35. PubMed ID: 24763360
[TBL] [Abstract][Full Text] [Related]
55. Molecular docking methodologies.
Bortolato A; Fanton M; Mason JS; Moro S
Methods Mol Biol; 2013; 924():339-60. PubMed ID: 23034755
[TBL] [Abstract][Full Text] [Related]
56. Discovery of novel chemotypes to a G-protein-coupled receptor through ligand-steered homology modeling and structure-based virtual screening.
Cavasotto CN; Orry AJ; Murgolo NJ; Czarniecki MF; Kocsi SA; Hawes BE; O'Neill KA; Hine H; Burton MS; Voigt JH; Abagyan RA; Bayne ML; Monsma FJ
J Med Chem; 2008 Feb; 51(3):581-8. PubMed ID: 18198821
[TBL] [Abstract][Full Text] [Related]
57. CDOCKER and λ-dynamics for prospective prediction in D₃R Grand Challenge 2.
Ding X; Hayes RL; Vilseck JZ; Charles MK; Brooks CL
J Comput Aided Mol Des; 2018 Jan; 32(1):89-102. PubMed ID: 28884249
[TBL] [Abstract][Full Text] [Related]
58. Modern homology modeling of G-protein coupled receptors: which structural template to use?
Mobarec JC; Sanchez R; Filizola M
J Med Chem; 2009 Aug; 52(16):5207-16. PubMed ID: 19627087
[TBL] [Abstract][Full Text] [Related]
59. Community-wide assessment of GPCR structure modelling and ligand docking: GPCR Dock 2008.
Michino M; Abola E; ; Brooks CL; Dixon JS; Moult J; Stevens RC
Nat Rev Drug Discov; 2009 Jun; 8(6):455-63. PubMed ID: 19461661
[TBL] [Abstract][Full Text] [Related]
60. Assessment and challenges of ligand docking into comparative models of G-protein coupled receptors.
Nguyen ED; Norn C; Frimurer TM; Meiler J
PLoS One; 2013; 8(7):e67302. PubMed ID: 23844000
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]
