185 related articles for article (PubMed ID: 15974595)
41. Conformational selection of protein kinase A revealed by flexible-ligand flexible-protein docking.
Huang Z; Wong CF
J Comput Chem; 2009 Mar; 30(4):631-44. PubMed ID: 18711718
[TBL] [Abstract][Full Text] [Related]
42. Knowledge-guided docking: accurate prospective prediction of bound configurations of novel ligands using Surflex-Dock.
Cleves AE; Jain AN
J Comput Aided Mol Des; 2015 Jun; 29(6):485-509. PubMed ID: 25940276
[TBL] [Abstract][Full Text] [Related]
43. Ensemble docking of multiple protein structures: considering protein structural variations in molecular docking.
Huang SY; Zou X
Proteins; 2007 Feb; 66(2):399-421. PubMed ID: 17096427
[TBL] [Abstract][Full Text] [Related]
44. Crystallographic and computational studies on 4-phenyl-N-(beta-D-glucopyranosyl)-1H-1,2,3-triazole-1-acetamide, an inhibitor of glycogen phosphorylase: comparison with alpha-D-glucose, N-acetyl-beta-D-glucopyranosylamine and N-benzoyl-N'-beta-D-glucopyranosyl urea binding.
Alexacou KM; Hayes JM; Tiraidis C; Zographos SE; Leonidas DD; Chrysina ED; Archontis G; Oikonomakos NG; Paul JV; Varghese B; Loganathan D
Proteins; 2008 May; 71(3):1307-23. PubMed ID: 18041758
[TBL] [Abstract][Full Text] [Related]
45. Ensemble docking into flexible active sites. Critical evaluation of FlexE against JNK-3 and beta-secretase.
Polgár T; Keserü GM
J Chem Inf Model; 2006; 46(4):1795-805. PubMed ID: 16859311
[TBL] [Abstract][Full Text] [Related]
46. Structural Analysis of E. coli hsp90 reveals dramatic nucleotide-dependent conformational rearrangements.
Shiau AK; Harris SF; Southworth DR; Agard DA
Cell; 2006 Oct; 127(2):329-40. PubMed ID: 17055434
[TBL] [Abstract][Full Text] [Related]
47. Optimal strategies for virtual screening of induced-fit and flexible target in the 2015 D3R Grand Challenge.
Ye Z; Baumgartner MP; Wingert BM; Camacho CJ
J Comput Aided Mol Des; 2016 Sep; 30(9):695-706. PubMed ID: 27573981
[TBL] [Abstract][Full Text] [Related]
48. Improving CAPRI predictions: optimized desolvation for rigid-body docking.
Fernández-Recio J; Abagyan R; Totrov M
Proteins; 2005 Aug; 60(2):308-13. PubMed ID: 15981266
[TBL] [Abstract][Full Text] [Related]
49. Lead finder: an approach to improve accuracy of protein-ligand docking, binding energy estimation, and virtual screening.
Stroganov OV; Novikov FN; Stroylov VS; Kulkov V; Chilov GG
J Chem Inf Model; 2008 Dec; 48(12):2371-85. PubMed ID: 19007114
[TBL] [Abstract][Full Text] [Related]
50. Pyrazolo[3,4-c]pyridazines as novel and selective inhibitors of cyclin-dependent kinases.
Braña MF; Cacho M; García ML; Mayoral EP; López B; de Pascual-Teresa B; Ramos A; Acero N; Llinares F; Muñoz-Mingarro D; Lozach O; Meijer L
J Med Chem; 2005 Nov; 48(22):6843-54. PubMed ID: 16250643
[TBL] [Abstract][Full Text] [Related]
51. Effect of crystal freezing and small-molecule binding on internal cavity size in a large protein: X-ray and docking studies of lipoxygenase at ambient and low temperature at 2.0 A resolution.
Skrzypczak-Jankun E; Borbulevych OY; Zavodszky MI; Baranski MR; Padmanabhan K; Petricek V; Jankun J
Acta Crystallogr D Biol Crystallogr; 2006 Jul; 62(Pt 7):766-75. PubMed ID: 16790932
[TBL] [Abstract][Full Text] [Related]
52. MolDock: a new technique for high-accuracy molecular docking.
Thomsen R; Christensen MH
J Med Chem; 2006 Jun; 49(11):3315-21. PubMed ID: 16722650
[TBL] [Abstract][Full Text] [Related]
53. Flexible protein-protein docking.
Bonvin AM
Curr Opin Struct Biol; 2006 Apr; 16(2):194-200. PubMed ID: 16488145
[TBL] [Abstract][Full Text] [Related]
54. Flexible docking in solution using metadynamics.
Gervasio FL; Laio A; Parrinello M
J Am Chem Soc; 2005 Mar; 127(8):2600-7. PubMed ID: 15725015
[TBL] [Abstract][Full Text] [Related]
55. Validation of an automated procedure for the prediction of relative free energies of binding on a set of aldose reductase inhibitors.
Ferrari AM; Degliesposti G; Sgobba M; Rastelli G
Bioorg Med Chem; 2007 Dec; 15(24):7865-77. PubMed ID: 17870536
[TBL] [Abstract][Full Text] [Related]
56. Validation studies of the site-directed docking program LibDock.
Rao SN; Head MS; Kulkarni A; LaLonde JM
J Chem Inf Model; 2007; 47(6):2159-71. PubMed ID: 17985863
[TBL] [Abstract][Full Text] [Related]
57. Structure-based development of target-specific compound libraries.
Orry AJ; Abagyan RA; Cavasotto CN
Drug Discov Today; 2006 Mar; 11(5-6):261-6. PubMed ID: 16580603
[TBL] [Abstract][Full Text] [Related]
58. Docking and scoring with alternative side-chain conformations.
Hartmann C; Antes I; Lengauer T
Proteins; 2009 Feb; 74(3):712-26. PubMed ID: 18704939
[TBL] [Abstract][Full Text] [Related]
59. Improved lead-finding for kinase targets using high-throughput docking.
McInnes C
Curr Opin Drug Discov Devel; 2006 May; 9(3):339-47. PubMed ID: 16729730
[TBL] [Abstract][Full Text] [Related]
60. Energy minimization in low-frequency normal modes to efficiently allow for global flexibility during systematic protein-protein docking.
May A; Zacharias M
Proteins; 2008 Feb; 70(3):794-809. PubMed ID: 17729269
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]
