447 related articles for article (PubMed ID: 26225536)
21. 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]
22. Toward fully automated high performance computing drug discovery: a massively parallel virtual screening pipeline for docking and molecular mechanics/generalized Born surface area rescoring to improve enrichment.
Zhang X; Wong SE; Lightstone FC
J Chem Inf Model; 2014 Jan; 54(1):324-37. PubMed ID: 24358939
[TBL] [Abstract][Full Text] [Related]
23. FlexAID: Revisiting Docking on Non-Native-Complex Structures.
Gaudreault F; Najmanovich RJ
J Chem Inf Model; 2015 Jul; 55(7):1323-36. PubMed ID: 26076070
[TBL] [Abstract][Full Text] [Related]
24. A new protein binding pocket similarity measure based on comparison of clouds of atoms in 3D: application to ligand prediction.
Hoffmann B; Zaslavskiy M; Vert JP; Stoven V
BMC Bioinformatics; 2010 Feb; 11():99. PubMed ID: 20175916
[TBL] [Abstract][Full Text] [Related]
25. Ligand-based virtual screening approach using a new scoring function.
Hamza A; Wei NN; Zhan CG
J Chem Inf Model; 2012 Apr; 52(4):963-74. PubMed ID: 22486340
[TBL] [Abstract][Full Text] [Related]
26. VS-APPLE: A Virtual Screening Algorithm Using Promiscuous Protein-Ligand Complexes.
Okuno T; Kato K; Terada TP; Sasai M; Chikenji G
J Chem Inf Model; 2015 Jun; 55(6):1108-19. PubMed ID: 26057716
[TBL] [Abstract][Full Text] [Related]
27. LS-align: an atom-level, flexible ligand structural alignment algorithm for high-throughput virtual screening.
Hu J; Liu Z; Yu DJ; Zhang Y
Bioinformatics; 2018 Jul; 34(13):2209-2218. PubMed ID: 29462237
[TBL] [Abstract][Full Text] [Related]
28. On the importance of composite protein multiple ligand interactions in protein pockets.
Tonddast-Navaei S; Srinivasan B; Skolnick J
J Comput Chem; 2017 Jun; 38(15):1252-1259. PubMed ID: 27864975
[TBL] [Abstract][Full Text] [Related]
29. Pocket detection and interaction-weighted ligand-similarity search yields novel high-affinity binders for Myocilin-OLF, a protein implicated in glaucoma.
Srinivasan B; Tonddast-Navaei S; Skolnick J
Bioorg Med Chem Lett; 2017 Sep; 27(17):4133-4139. PubMed ID: 28739043
[TBL] [Abstract][Full Text] [Related]
30. LIGSIFT: an open-source tool for ligand structural alignment and virtual screening.
Roy A; Skolnick J
Bioinformatics; 2015 Feb; 31(4):539-44. PubMed ID: 25336501
[TBL] [Abstract][Full Text] [Related]
31. LigMatch: a multiple structure-based ligand matching method for 3D virtual screening.
Kinnings SL; Jackson RM
J Chem Inf Model; 2009 Sep; 49(9):2056-66. PubMed ID: 19685924
[TBL] [Abstract][Full Text] [Related]
32. Structure-based computational approaches for small-molecule modulation of protein-protein interactions.
Xu D; Wang B; Meroueh SO
Methods Mol Biol; 2015; 1278():77-92. PubMed ID: 25859944
[TBL] [Abstract][Full Text] [Related]
33. Structure-based virtual screening of MT2 melatonin receptor: influence of template choice and structural refinement.
Pala D; Beuming T; Sherman W; Lodola A; Rivara S; Mor M
J Chem Inf Model; 2013 Apr; 53(4):821-35. PubMed ID: 23541165
[TBL] [Abstract][Full Text] [Related]
34. SDOVS: a solvent dipole ordering-based method for virtual screening.
Murata K; Nagata N; Nakanishi I; Kitaura K
J Comput Chem; 2010 Nov; 31(15):2714-22. PubMed ID: 20839298
[TBL] [Abstract][Full Text] [Related]
35. FINDSITE(X): a structure-based, small molecule virtual screening approach with application to all identified human GPCRs.
Zhou H; Skolnick J
Mol Pharm; 2012 Jun; 9(6):1775-84. PubMed ID: 22574683
[TBL] [Abstract][Full Text] [Related]
36. DStruBTarget: Integrating Binding Affinity with Structure Similarity for Ligand-Binding Protein Prediction.
Fan C; Wong PP; Zhao H
J Chem Inf Model; 2020 Jan; 60(1):400-409. PubMed ID: 31833767
[No Abstract] [Full Text] [Related]
37. 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]
38. Q-Dock(LHM): Low-resolution refinement for ligand comparative modeling.
Brylinski M; Skolnick J
J Comput Chem; 2010 Apr; 31(5):1093-105. PubMed ID: 19827144
[TBL] [Abstract][Full Text] [Related]
39. Systematic and efficient side chain optimization for molecular docking using a cheapest-path procedure.
Schumann M; Armen RS
J Comput Chem; 2013 May; 34(14):1258-69. PubMed ID: 23420703
[TBL] [Abstract][Full Text] [Related]
40. Protein flexibility in ligand docking and virtual screening to protein kinases.
Cavasotto CN; Abagyan RA
J Mol Biol; 2004 Mar; 337(1):209-25. PubMed ID: 15001363
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]