484 related articles for article (PubMed ID: 17554856)
1. Virtual high-throughput screening of molecular databases.
Seifert MH; Kraus J; Kramer B
Curr Opin Drug Discov Devel; 2007 May; 10(3):298-307. PubMed ID: 17554856
[TBL] [Abstract][Full Text] [Related]
2. Lead optimization via high-throughput molecular docking.
Joseph-McCarthy D; Baber JC; Feyfant E; Thompson DC; Humblet C
Curr Opin Drug Discov Devel; 2007 May; 10(3):264-74. PubMed ID: 17554852
[TBL] [Abstract][Full Text] [Related]
3. The use of protein-ligand interaction fingerprints in docking.
Brewerton SC
Curr Opin Drug Discov Devel; 2008 May; 11(3):356-64. PubMed ID: 18428089
[TBL] [Abstract][Full Text] [Related]
4. Physics-based methods for studying protein-ligand interactions.
Huang N; Jacobson MP
Curr Opin Drug Discov Devel; 2007 May; 10(3):325-31. PubMed ID: 17554859
[TBL] [Abstract][Full Text] [Related]
5. Ranking poses in structure-based lead discovery and optimization: current trends in scoring function development.
Rajamani R; Good AC
Curr Opin Drug Discov Devel; 2007 May; 10(3):308-15. PubMed ID: 17554857
[TBL] [Abstract][Full Text] [Related]
6. Molecular modeling of hydration in drug design.
Mancera RL
Curr Opin Drug Discov Devel; 2007 May; 10(3):275-80. PubMed ID: 17554853
[TBL] [Abstract][Full Text] [Related]
7. Informatics and modeling challenges in fragment-based drug discovery.
Hubbard RE; Chen I; Davis B
Curr Opin Drug Discov Devel; 2007 May; 10(3):289-97. PubMed ID: 17554855
[TBL] [Abstract][Full Text] [Related]
8. Investigation of MM-PBSA rescoring of docking poses.
Thompson DC; Humblet C; Joseph-McCarthy D
J Chem Inf Model; 2008 May; 48(5):1081-91. PubMed ID: 18465849
[TBL] [Abstract][Full Text] [Related]
9. Efficient virtual screening using multiple protein conformations described as negative images of the ligand-binding site.
Virtanen SI; Pentikäinen OT
J Chem Inf Model; 2010 Jun; 50(6):1005-11. PubMed ID: 20504004
[TBL] [Abstract][Full Text] [Related]
10. In silico identification of bioisosteric functional groups.
Ertl P
Curr Opin Drug Discov Devel; 2007 May; 10(3):281-8. PubMed ID: 17554854
[TBL] [Abstract][Full Text] [Related]
11. Consensus scoring for protein-ligand interactions.
Feher M
Drug Discov Today; 2006 May; 11(9-10):421-8. PubMed ID: 16635804
[TBL] [Abstract][Full Text] [Related]
12. FURSMASA: a new approach to rapid scoring functions that uses a MD-averaged potential energy grid and a solvent-accessible surface area term with parameters GA fit to experimental data.
Pearlman DA; Rao BG; Charifson P
Proteins; 2008 May; 71(3):1519-38. PubMed ID: 18300249
[TBL] [Abstract][Full Text] [Related]
13. 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]
14. Rescoring ligand docking poses.
Zhong S; Zhang Y; Xiu Z
Curr Opin Drug Discov Devel; 2010 May; 13(3):326-34. PubMed ID: 20443166
[TBL] [Abstract][Full Text] [Related]
15. A knowledge-based weighting approach to ligand-based virtual screening.
Stiefl N; Zaliani A
J Chem Inf Model; 2006; 46(2):587-96. PubMed ID: 16562987
[TBL] [Abstract][Full Text] [Related]
16. Statistical tools for virtual screening.
Krumrine JR; Maynard AT; Lerman CL
J Med Chem; 2005 Nov; 48(23):7477-81. PubMed ID: 16279807
[TBL] [Abstract][Full Text] [Related]
17. A pharmacophore-based evolutionary approach for screening selective estrogen receptor modulators.
Yang JM; Shen TW
Proteins; 2005 May; 59(2):205-20. PubMed ID: 15726586
[TBL] [Abstract][Full Text] [Related]
18. Ranking targets in structure-based virtual screening of three-dimensional protein libraries: methods and problems.
Kellenberger E; Foata N; Rognan D
J Chem Inf Model; 2008 May; 48(5):1014-25. PubMed ID: 18412328
[TBL] [Abstract][Full Text] [Related]
19. Analysis of structure-based virtual screening studies and characterization of identified active compounds.
Ripphausen P; Stumpfe D; Bajorath J
Future Med Chem; 2012 Apr; 4(5):603-13. PubMed ID: 22458680
[TBL] [Abstract][Full Text] [Related]
20. Comparison of virtual high-throughput screening methods for the identification of phosphodiesterase-5 inhibitors.
Niinivehmas SP; Virtanen SI; Lehtonen JV; Postila PA; Pentikäinen OT
J Chem Inf Model; 2011 Jun; 51(6):1353-63. PubMed ID: 21591817
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
