216 related articles for article (PubMed ID: 16220974)
1. Multiple-ligand-based virtual screening: methods and applications of the MTree approach.
Hessler G; Zimmermann M; Matter H; Evers A; Naumann T; Lengauer T; Rarey M
J Med Chem; 2005 Oct; 48(21):6575-84. PubMed ID: 16220974
[TBL] [Abstract][Full Text] [Related]
2. 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]
3. Molecular surface point environments for virtual screening and the elucidation of binding patterns (MOLPRINT 3D).
Bender A; Mussa HY; Gill GS; Glen RC
J Med Chem; 2004 Dec; 47(26):6569-83. PubMed ID: 15588092
[TBL] [Abstract][Full Text] [Related]
4. A common reference framework for analyzing/comparing proteins and ligands. Fingerprints for Ligands and Proteins (FLAP): theory and application.
Baroni M; Cruciani G; Sciabola S; Perruccio F; Mason JS
J Chem Inf Model; 2007; 47(2):279-94. PubMed ID: 17381166
[TBL] [Abstract][Full Text] [Related]
5. Impact of conformational flexibility on three-dimensional similarity searching using correlation vectors.
Renner S; Schwab CH; Gasteiger J; Schneider G
J Chem Inf Model; 2006; 46(6):2324-32. PubMed ID: 17125176
[TBL] [Abstract][Full Text] [Related]
6. Comparison of ligand-based and receptor-based virtual screening of HIV entry inhibitors for the CXCR4 and CCR5 receptors using 3D ligand shape matching and ligand-receptor docking.
Pérez-Nueno VI; Ritchie DW; Rabal O; Pascual R; Borrell JI; Teixidó J
J Chem Inf Model; 2008 Mar; 48(3):509-33. PubMed ID: 18298095
[TBL] [Abstract][Full Text] [Related]
7. Mapping algorithms for molecular similarity analysis and ligand-based virtual screening: design of DynaMAD and comparison with MAD and DMC.
Eckert H; Vogt I; Bajorath J
J Chem Inf Model; 2006; 46(4):1623-34. PubMed ID: 16859294
[TBL] [Abstract][Full Text] [Related]
8. Structural interaction fingerprint (SIFt): a novel method for analyzing three-dimensional protein-ligand binding interactions.
Deng Z; Chuaqui C; Singh J
J Med Chem; 2004 Jan; 47(2):337-44. PubMed ID: 14711306
[TBL] [Abstract][Full Text] [Related]
9. Comparison of shape-matching and docking as virtual screening tools.
Hawkins PC; Skillman AG; Nicholls A
J Med Chem; 2007 Jan; 50(1):74-82. PubMed ID: 17201411
[TBL] [Abstract][Full Text] [Related]
10. Structure-based pharmacophore design and virtual screening for novel angiotensin converting enzyme 2 inhibitors.
Rella M; Rushworth CA; Guy JL; Turner AJ; Langer T; Jackson RM
J Chem Inf Model; 2006; 46(2):708-16. PubMed ID: 16563001
[TBL] [Abstract][Full Text] [Related]
11. Flexible 3D pharmacophores as descriptors of dynamic biological space.
Nettles JH; Jenkins JL; Williams C; Clark AM; Bender A; Deng Z; Davies JW; Glick M
J Mol Graph Model; 2007 Oct; 26(3):622-33. PubMed ID: 17395510
[TBL] [Abstract][Full Text] [Related]
12. Ligand-based structural hypotheses for virtual screening.
Jain AN
J Med Chem; 2004 Feb; 47(4):947-61. PubMed ID: 14761196
[TBL] [Abstract][Full Text] [Related]
13. Fuzzy pharmacophore models from molecular alignments for correlation-vector-based virtual screening.
Renner S; Schneider G
J Med Chem; 2004 Sep; 47(19):4653-64. PubMed ID: 15341481
[TBL] [Abstract][Full Text] [Related]
14. Structure-based drug discovery using GPCR homology modeling: successful virtual screening for antagonists of the alpha1A adrenergic receptor.
Evers A; Klabunde T
J Med Chem; 2005 Feb; 48(4):1088-97. PubMed ID: 15715476
[TBL] [Abstract][Full Text] [Related]
15. Structure-based virtual screening for low molecular weight chemical starting points for dipeptidyl peptidase IV inhibitors.
Ward RA; Perkins TD; Stafford J
J Med Chem; 2005 Nov; 48(22):6991-6. PubMed ID: 16250657
[TBL] [Abstract][Full Text] [Related]
16. Optimization of high throughput virtual screening by combining shape-matching and docking methods.
Lee HS; Choi J; Kufareva I; Abagyan R; Filikov A; Yang Y; Yoon S
J Chem Inf Model; 2008 Mar; 48(3):489-97. PubMed ID: 18302357
[TBL] [Abstract][Full Text] [Related]
17. Discovery of novel HIV entry inhibitors for the CXCR4 receptor by prospective virtual screening.
Pérez-Nueno VI; Pettersson S; Ritchie DW; Borrell JI; Teixidó J
J Chem Inf Model; 2009 Apr; 49(4):810-23. PubMed ID: 19358515
[TBL] [Abstract][Full Text] [Related]
18. Predicting multiple ligand binding modes using self-consistent pharmacophore hypotheses.
Wallach I; Lilien R
J Chem Inf Model; 2009 Sep; 49(9):2116-28. PubMed ID: 19711952
[TBL] [Abstract][Full Text] [Related]
19. Similarity metrics for ligands reflecting the similarity of the target proteins.
Schuffenhauer A; Floersheim P; Acklin P; Jacoby E
J Chem Inf Comput Sci; 2003; 43(2):391-405. PubMed ID: 12653501
[TBL] [Abstract][Full Text] [Related]
20. Druggability indices for protein targets derived from NMR-based screening data.
Hajduk PJ; Huth JR; Fesik SW
J Med Chem; 2005 Apr; 48(7):2518-25. PubMed ID: 15801841
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]