133 related articles for article (PubMed ID: 16711754)
1. PharmID: pharmacophore identification using Gibbs sampling.
Feng J; Sanil A; Young SS
J Chem Inf Model; 2006; 46(3):1352-9. PubMed ID: 16711754
[TBL] [Abstract][Full Text] [Related]
2. A self-organizing algorithm for molecular alignment and pharmacophore development.
Bandyopadhyay D; Agrafiotis DK
J Comput Chem; 2008 Apr; 29(6):965-82. PubMed ID: 17999384
[TBL] [Abstract][Full Text] [Related]
3. Elucidating molecular overlays from pairwise alignments using a genetic algorithm.
Jones G; Gao Y; Sage CR
J Chem Inf Model; 2009 Jul; 49(7):1847-55. PubMed ID: 19537722
[TBL] [Abstract][Full Text] [Related]
4. A pharmacophore map of small molecule protein kinase inhibitors.
McGregor MJ
J Chem Inf Model; 2007; 47(6):2374-82. PubMed ID: 17941626
[TBL] [Abstract][Full Text] [Related]
5. 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]
6. 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]
7. 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]
8. Molecule-pharmacophore superpositioning and pattern matching in computational drug design.
Wolber G; Seidel T; Bendix F; Langer T
Drug Discov Today; 2008 Jan; 13(1-2):23-9. PubMed ID: 18190860
[TBL] [Abstract][Full Text] [Related]
9. Common pharmacophore identification using frequent clique detection algorithm.
Podolyan Y; Karypis G
J Chem Inf Model; 2009 Jan; 49(1):13-21. PubMed ID: 19072298
[TBL] [Abstract][Full Text] [Related]
10. Fuzzy tricentric pharmacophore fingerprints. 1. Topological fuzzy pharmacophore triplets and adapted molecular similarity scoring schemes.
Bonachéra F; Parent B; Barbosa F; Froloff N; Horvath D
J Chem Inf Model; 2006; 46(6):2457-77. PubMed ID: 17125187
[TBL] [Abstract][Full Text] [Related]
11. Modeling flexible pharmacophores with distance geometry, scoring, and bound stretching.
Binns M; de Visser SP; Theodoropoulos C
J Chem Inf Model; 2012 Feb; 52(2):577-88. PubMed ID: 22235879
[TBL] [Abstract][Full Text] [Related]
12. Novel method for the evaluation of 3D conformation generators.
Takagi T; Amano M; Tomimoto M
J Chem Inf Model; 2009 Jun; 49(6):1377-88. PubMed ID: 19435329
[TBL] [Abstract][Full Text] [Related]
13. Recursive distance partitioning algorithm for common pharmacophore identification.
Zhu F; Agrafiotis DK
J Chem Inf Model; 2007; 47(4):1619-25. PubMed ID: 17547387
[TBL] [Abstract][Full Text] [Related]
14. GRID-based three-dimensional pharmacophores II: PharmBench, a benchmark data set for evaluating pharmacophore elucidation methods.
Cross S; Ortuso F; Baroni M; Costa G; Distinto S; Moraca F; Alcaro S; Cruciani G
J Chem Inf Model; 2012 Oct; 52(10):2599-608. PubMed ID: 22970854
[TBL] [Abstract][Full Text] [Related]
15. EADock: docking of small molecules into protein active sites with a multiobjective evolutionary optimization.
Grosdidier A; Zoete V; Michielin O
Proteins; 2007 Jun; 67(4):1010-25. PubMed ID: 17380512
[TBL] [Abstract][Full Text] [Related]
16. A 3D similarity method for scaffold hopping from known drugs or natural ligands to new chemotypes.
Jenkins JL; Glick M; Davies JW
J Med Chem; 2004 Dec; 47(25):6144-59. PubMed ID: 15566286
[TBL] [Abstract][Full Text] [Related]
17. MED-3DMC: a new tool to generate 3D conformation ensembles of small molecules with a Monte Carlo sampling of the conformational space.
Sperandio O; Souaille M; Delfaud F; Miteva MA; Villoutreix BO
Eur J Med Chem; 2009 Apr; 44(4):1405-9. PubMed ID: 19022539
[TBL] [Abstract][Full Text] [Related]
18. GAPE: an improved genetic algorithm for pharmacophore elucidation.
Jones G
J Chem Inf Model; 2010 Nov; 50(11):2001-18. PubMed ID: 20977234
[TBL] [Abstract][Full Text] [Related]
19. The pharmacophore kernel for virtual screening with support vector machines.
Mahé P; Ralaivola L; Stoven V; Vert JP
J Chem Inf Model; 2006; 46(5):2003-14. PubMed ID: 16995731
[TBL] [Abstract][Full Text] [Related]
20. MARS: computing three-dimensional alignments for multiple ligands using pairwise similarities.
Klabunde T; Giegerich C; Evers A
J Chem Inf Model; 2012 Aug; 52(8):2022-30. PubMed ID: 22794356
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]