222 related articles for article (PubMed ID: 27869685)
1. Three-Dimensional Biologically Relevant Spectrum (BRS-3D): Shape Similarity Profile Based on PDB Ligands as Molecular Descriptors.
Hu B; Kuang ZK; Feng SY; Wang D; He SB; Kong DX
Molecules; 2016 Nov; 21(11):. PubMed ID: 27869685
[TBL] [Abstract][Full Text] [Related]
2. Predicting subtype selectivity of dopamine receptor ligands with three-dimensional biologically relevant spectrum.
Kuang ZK; Feng SY; Hu B; Wang D; He SB; Kong DX
Chem Biol Drug Des; 2016 Dec; 88(6):859-872. PubMed ID: 27390270
[TBL] [Abstract][Full Text] [Related]
3. Predicting Subtype Selectivity for Adenosine Receptor Ligands with Three-Dimensional Biologically Relevant Spectrum (BRS-3D).
He SB; Ben Hu ; Kuang ZK; Wang D; Kong DX
Sci Rep; 2016 Nov; 6():36595. PubMed ID: 27812030
[TBL] [Abstract][Full Text] [Related]
4. Ligand and decoy sets for docking to G protein-coupled receptors.
Gatica EA; Cavasotto CN
J Chem Inf Model; 2012 Jan; 52(1):1-6. PubMed ID: 22168315
[TBL] [Abstract][Full Text] [Related]
5. Application of support vector machine to three-dimensional shape-based virtual screening using comprehensive three-dimensional molecular shape overlay with known inhibitors.
Sato T; Yuki H; Takaya D; Sasaki S; Tanaka A; Honma T
J Chem Inf Model; 2012 Apr; 52(4):1015-26. PubMed ID: 22424085
[TBL] [Abstract][Full Text] [Related]
6. Virtual screening of biogenic amine-binding G-protein coupled receptors: comparative evaluation of protein- and ligand-based virtual screening protocols.
Evers A; Hessler G; Matter H; Klabunde T
J Med Chem; 2005 Aug; 48(17):5448-65. PubMed ID: 16107144
[TBL] [Abstract][Full Text] [Related]
7. A novel identification approach for discovery of 5-HydroxyTriptamine 2A antagonists: combination of 2D/3D similarity screening, molecular docking and molecular dynamics.
Kumar R; Jade D; Gupta D
J Biomol Struct Dyn; 2019 Mar; 37(4):931-943. PubMed ID: 29468945
[TBL] [Abstract][Full Text] [Related]
8. Molecular interaction fingerprint approaches for GPCR drug discovery.
Vass M; Kooistra AJ; Ritschel T; Leurs R; de Esch IJ; de Graaf C
Curr Opin Pharmacol; 2016 Oct; 30():59-68. PubMed ID: 27479316
[TBL] [Abstract][Full Text] [Related]
9. 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]
10. SABRE: ligand/structure-based virtual screening approach using consensus molecular-shape pattern recognition.
Wei NN; Hamza A
J Chem Inf Model; 2014 Jan; 54(1):338-46. PubMed ID: 24328054
[TBL] [Abstract][Full Text] [Related]
11. Virtual screening of GPCRs: an in silico chemogenomics approach.
Jacob L; Hoffmann B; Stoven V; Vert JP
BMC Bioinformatics; 2008 Sep; 9():363. PubMed ID: 18775075
[TBL] [Abstract][Full Text] [Related]
12. 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]
13. mRAISE: an alternative algorithmic approach to ligand-based virtual screening.
von Behren MM; Bietz S; Nittinger E; Rarey M
J Comput Aided Mol Des; 2016 Aug; 30(8):583-94. PubMed ID: 27565795
[TBL] [Abstract][Full Text] [Related]
14. sc-PDB: an annotated database of druggable binding sites from the Protein Data Bank.
Kellenberger E; Muller P; Schalon C; Bret G; Foata N; Rognan D
J Chem Inf Model; 2006; 46(2):717-27. PubMed ID: 16563002
[TBL] [Abstract][Full Text] [Related]
15. Prospective evaluation of shape similarity based pose prediction method in D3R Grand Challenge 2015.
Kumar A; Zhang KY
J Comput Aided Mol Des; 2016 Sep; 30(9):685-693. PubMed ID: 27484214
[TBL] [Abstract][Full Text] [Related]
16. Computational Prediction of Compound-Protein Interactions for Orphan Targets Using CGBVS.
Kanai C; Kawasaki E; Murakami R; Morita Y; Yoshimori A
Molecules; 2021 Aug; 26(17):. PubMed ID: 34500569
[TBL] [Abstract][Full Text] [Related]
17. Characterizing common substructures of ligands for GPCR protein subfamilies.
Erguner B; Hattori M; Goto S; Kanehisa M
Genome Inform; 2010; 24():31-41. PubMed ID: 22081587
[TBL] [Abstract][Full Text] [Related]
18. 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]
19. GPCRdb in 2018: adding GPCR structure models and ligands.
Pándy-Szekeres G; Munk C; Tsonkov TM; Mordalski S; Harpsøe K; Hauser AS; Bojarski AJ; Gloriam DE
Nucleic Acids Res; 2018 Jan; 46(D1):D440-D446. PubMed ID: 29155946
[TBL] [Abstract][Full Text] [Related]
20. An unbiased method to build benchmarking sets for ligand-based virtual screening and its application to GPCRs.
Xia J; Jin H; Liu Z; Zhang L; Wang XS
J Chem Inf Model; 2014 May; 54(5):1433-50. PubMed ID: 24749745
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]