399 related articles for article (PubMed ID: 29188560)
1. GPCR Homology Model Generation for Lead Optimization.
Tautermann CS
Methods Mol Biol; 2018; 1705():115-131. PubMed ID: 29188560
[TBL] [Abstract][Full Text] [Related]
2. Benchmarking GPCR homology model template selection in combination with de novo loop generation.
Szwabowski GL; Castleman PN; Sears CK; Wink LH; Cole JA; Baker DL; Parrill AL
J Comput Aided Mol Des; 2020 Oct; 34(10):1027-1044. PubMed ID: 32737667
[TBL] [Abstract][Full Text] [Related]
3. Computational Methods Used in Hit-to-Lead and Lead Optimization Stages of Structure-Based Drug Discovery.
Heifetz A; Southey M; Morao I; Townsend-Nicholson A; Bodkin MJ
Methods Mol Biol; 2018; 1705():375-394. PubMed ID: 29188574
[TBL] [Abstract][Full Text] [Related]
4. 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]
5. 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]
6. Structure versus function-The impact of computational methods on the discovery of specific GPCR-ligands.
Bermudez M; Wolber G
Bioorg Med Chem; 2015 Jul; 23(14):3907-12. PubMed ID: 25828056
[TBL] [Abstract][Full Text] [Related]
7. Improving virtual screening of G protein-coupled receptors via ligand-directed modeling.
Coudrat T; Simms J; Christopoulos A; Wootten D; Sexton PM
PLoS Comput Biol; 2017 Nov; 13(11):e1005819. PubMed ID: 29131821
[TBL] [Abstract][Full Text] [Related]
8. Modeling and Deorphanization of Orphan GPCRs.
Diaz C; Angelloz-Nicoud P; Pihan E
Methods Mol Biol; 2018; 1705():413-429. PubMed ID: 29188576
[TBL] [Abstract][Full Text] [Related]
9. GPCR homology model template selection benchmarking: Global versus local similarity measures.
Castleman PN; Sears CK; Cole JA; Baker DL; Parrill AL
J Mol Graph Model; 2019 Jan; 86():235-246. PubMed ID: 30390544
[TBL] [Abstract][Full Text] [Related]
10. Reliability of Docking-Based Virtual Screening for GPCR Ligands with Homology Modeled Structures: A Case Study of the Angiotensin II Type I Receptor.
Chen H; Fu W; Wang Z; Wang X; Lei T; Zhu F; Li D; Chang S; Xu L; Hou T
ACS Chem Neurosci; 2019 Jan; 10(1):677-689. PubMed ID: 30265513
[TBL] [Abstract][Full Text] [Related]
11. Efficiency of Homology Modeling Assisted Molecular Docking in G-protein Coupled Receptors.
Bhunia SS; Saxena AK
Curr Top Med Chem; 2021; 21(4):269-294. PubMed ID: 32901584
[TBL] [Abstract][Full Text] [Related]
12. Expanding the horizons of G protein-coupled receptor structure-based ligand discovery and optimization using homology models.
Cavasotto CN; Palomba D
Chem Commun (Camb); 2015 Sep; 51(71):13576-94. PubMed ID: 26256645
[TBL] [Abstract][Full Text] [Related]
13. Methods for Virtual Screening of GPCR Targets: Approaches and Challenges.
Cross JB
Methods Mol Biol; 2018; 1705():233-264. PubMed ID: 29188566
[TBL] [Abstract][Full Text] [Related]
14. Template selection and refinement considerations for modelling aminergic GPCR-ligand complexes.
Urmi KF; Finch AM; Griffith R
J Mol Graph Model; 2017 Sep; 76():488-503. PubMed ID: 28818718
[TBL] [Abstract][Full Text] [Related]
15. 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]
16. Performance of virtual screening against GPCR homology models: Impact of template selection and treatment of binding site plasticity.
Jaiteh M; Rodríguez-Espigares I; Selent J; Carlsson J
PLoS Comput Biol; 2020 Mar; 16(3):e1007680. PubMed ID: 32168319
[TBL] [Abstract][Full Text] [Related]
17. From heptahelical bundle to hits from the Haystack: structure-based virtual screening for GPCR ligands.
Kooistra AJ; Roumen L; Leurs R; de Esch IJ; de Graaf C
Methods Enzymol; 2013; 522():279-336. PubMed ID: 23374191
[TBL] [Abstract][Full Text] [Related]
18. Galaxy7TM: flexible GPCR-ligand docking by structure refinement.
Lee GR; Seok C
Nucleic Acids Res; 2016 Jul; 44(W1):W502-6. PubMed ID: 27131365
[TBL] [Abstract][Full Text] [Related]
19. G protein-coupled receptor transmembrane binding pockets and their applications in GPCR research and drug discovery: a survey.
Kratochwil NA; Gatti-McArthur S; Hoener MC; Lindemann L; Christ AD; Green LG; Guba W; Martin RE; Malherbe P; Porter RH; Slack JP; Winnig M; Dehmlow H; Grether U; Hertel C; Narquizian R; Panousis CG; Kolczewski S; Steward L
Curr Top Med Chem; 2011; 11(15):1902-24. PubMed ID: 21470172
[TBL] [Abstract][Full Text] [Related]
20. 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]
[Next] [New Search]