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Journal Abstract Search
266 related items for PubMed ID: 15877468
1. Focused combinatorial library design based on structural diversity, druglikeness and binding affinity score. Chen G, Zheng S, Luo X, Shen J, Zhu W, Liu H, Gui C, Zhang J, Zheng M, Puah CM, Chen K, Jiang H. J Comb Chem; 2005; 7(3):398-406. PubMed ID: 15877468 [Abstract] [Full Text] [Related]
2. Design of focused and restrained subsets from extremely large virtual libraries. Jamois EA, Lin CT, Waldman M. J Mol Graph Model; 2003 Nov; 22(2):141-9. PubMed ID: 12932785 [Abstract] [Full Text] [Related]
3. Strategy for discovering chemical inhibitors of human cyclophilin a: focused library design, virtual screening, chemical synthesis and bioassay. Li J, Zhang J, Chen J, Luo X, Zhu W, Shen J, Liu H, Shen X, Jiang H. J Comb Chem; 2006 Nov; 8(3):326-37. PubMed ID: 16677001 [Abstract] [Full Text] [Related]
4. A minimalist approach to fragment-based ligand design using common rings and linkers: application to kinase inhibitors. Aronov AM, Bemis GW. Proteins; 2004 Oct 01; 57(1):36-50. PubMed ID: 15326593 [Abstract] [Full Text] [Related]
5. Ligand-based combinatorial design of selective purinergic receptor (A2A) antagonists using self-organizing maps. Schneider G, Nettekoven M. J Comb Chem; 2003 Oct 01; 5(3):233-7. PubMed ID: 12739938 [Abstract] [Full Text] [Related]
6. Importance of molecular computer modeling in anticancer drug development. Geromichalos GD. J BUON; 2007 Sep 01; 12 Suppl 1():S101-18. PubMed ID: 17935268 [Abstract] [Full Text] [Related]
7. Concept of combinatorial de novo design of drug-like molecules by particle swarm optimization. Hartenfeller M, Proschak E, Schüller A, Schneider G. Chem Biol Drug Des; 2008 Jul 01; 72(1):16-26. PubMed ID: 18564216 [Abstract] [Full Text] [Related]
13. Structure-based generation of viable leads from small combinatorial libraries. Laird ER, Blake JF. Curr Opin Drug Discov Devel; 2004 May 01; 7(3):354-9. PubMed ID: 15216940 [Abstract] [Full Text] [Related]
14. Combinatorial design of nonsymmetrical cyclic urea inhibitors of aspartic protease of HIV-1. Frecer V, Burello E, Miertus S. Bioorg Med Chem; 2005 Sep 15; 13(18):5492-501. PubMed ID: 16054372 [Abstract] [Full Text] [Related]
15. CLEVER: pipeline for designing in silico chemical libraries. Song CM, Bernardo PH, Chai CL, Tong JC. J Mol Graph Model; 2009 Jan 15; 27(5):578-83. PubMed ID: 18986817 [Abstract] [Full Text] [Related]
18. An efficient in silico screening method based on the protein-compound affinity matrix and its application to the design of a focused library for cytochrome P450 (CYP) ligands. Fukunishi Y, Hojo S, Nakamura H. J Chem Inf Model; 2006 Jan 15; 46(6):2610-22. PubMed ID: 17125201 [Abstract] [Full Text] [Related]
19. Comparative assessment of scoring functions on a diverse test set. Cheng T, Li X, Li Y, Liu Z, Wang R. J Chem Inf Model; 2009 Apr 15; 49(4):1079-93. PubMed ID: 19358517 [Abstract] [Full Text] [Related]