These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
173 related articles for article (PubMed ID: 17294248)
21. Swimming into peptidomimetic chemical space using pepMMsMIMIC. Floris M; Masciocchi J; Fanton M; Moro S Nucleic Acids Res; 2011 Jul; 39(Web Server issue):W261-9. PubMed ID: 21622954 [TBL] [Abstract][Full Text] [Related]
22. De novo design with deep generative models based on 3D similarity scoring. Papadopoulos K; Giblin KA; Janet JP; Patronov A; Engkvist O Bioorg Med Chem; 2021 Aug; 44():116308. PubMed ID: 34280849 [TBL] [Abstract][Full Text] [Related]
23. Drug Guru: a computer software program for drug design using medicinal chemistry rules. Stewart KD; Shiroda M; James CA Bioorg Med Chem; 2006 Oct; 14(20):7011-22. PubMed ID: 16870456 [TBL] [Abstract][Full Text] [Related]
24. GroupBuild: a fragment-based method for de novo drug design. Rotstein SH; Murcko MA J Med Chem; 1993 Jun; 36(12):1700-10. PubMed ID: 8510098 [TBL] [Abstract][Full Text] [Related]
25. Protein design as a challenge for peptide chemists. Tuchscherer G; Mutter M J Pept Sci; 1995; 1(1):3-10. PubMed ID: 9222979 [TBL] [Abstract][Full Text] [Related]
26. Peptidomimetics derived from natural products. Wiley RA; Rich DH Med Res Rev; 1993 May; 13(3):327-84. PubMed ID: 8483337 [TBL] [Abstract][Full Text] [Related]
27. A review of MED-SuMo applications. Doppelt-Azeroual O; Moriaud F; Adcock SA; Delfaud F Infect Disord Drug Targets; 2009 Jun; 9(3):344-57. PubMed ID: 19519487 [TBL] [Abstract][Full Text] [Related]
28. DOGS: reaction-driven de novo design of bioactive compounds. Hartenfeller M; Zettl H; Walter M; Rupp M; Reisen F; Proschak E; Weggen S; Stark H; Schneider G PLoS Comput Biol; 2012; 8(2):e1002380. PubMed ID: 22359493 [TBL] [Abstract][Full Text] [Related]
29. A detailed comparison of current docking and scoring methods on systems of pharmaceutical relevance. Perola E; Walters WP; Charifson PS Proteins; 2004 Aug; 56(2):235-49. PubMed ID: 15211508 [TBL] [Abstract][Full Text] [Related]
30. Physicochemical and DMPK in silico models: facilitating their use by medicinal chemists. Ortwine DF; Aliagas I Mol Pharm; 2013 Apr; 10(4):1153-61. PubMed ID: 23402361 [TBL] [Abstract][Full Text] [Related]
31. Computational analysis of de novo evolution of hepatitis C virus NS5B polymerase inhibitors. Chen PY; Hsu WT; Jhuo MD; Ou CY; Cheng TH; Shih TC; Wu CH; Wu RS; Hsia TC; Chung JG In Vivo; 2011; 25(2):219-28. PubMed ID: 21471538 [TBL] [Abstract][Full Text] [Related]
32. LigBuilder 2: a practical de novo drug design approach. Yuan Y; Pei J; Lai L J Chem Inf Model; 2011 May; 51(5):1083-91. PubMed ID: 21513346 [TBL] [Abstract][Full Text] [Related]
33. Diversity oriented synthesis: a challenge for synthetic chemists. Bender A; Fergus S; Galloway WR; Glansdorp FG; Marsden DM; Nicholson RL; Spandl RJ; Thomas GL; Wyatt EE; Glen RC; Spring DR Ernst Schering Res Found Workshop; 2006; (58):47-60. PubMed ID: 16708998 [TBL] [Abstract][Full Text] [Related]
34. Beyond mere diversity: tailoring combinatorial libraries for drug discovery. Martin EJ; Critchlow RE J Comb Chem; 1999 Jan; 1(1):32-45. PubMed ID: 10746013 [TBL] [Abstract][Full Text] [Related]
35. PHOENIX: a scoring function for affinity prediction derived using high-resolution crystal structures and calorimetry measurements. Tang YT; Marshall GR J Chem Inf Model; 2011 Feb; 51(2):214-28. PubMed ID: 21214225 [TBL] [Abstract][Full Text] [Related]
36. Novel, customizable scoring functions, parameterized using N-PLS, for structure-based drug discovery. Catana C; Stouten PF J Chem Inf Model; 2007; 47(1):85-91. PubMed ID: 17238252 [TBL] [Abstract][Full Text] [Related]
37. Computational design of novel fullerene analogues as potential HIV-1 PR inhibitors: Analysis of the binding interactions between fullerene inhibitors and HIV-1 PR residues using 3D QSAR, molecular docking and molecular dynamics simulations. Durdagi S; Mavromoustakos T; Chronakis N; Papadopoulos MG Bioorg Med Chem; 2008 Dec; 16(23):9957-74. PubMed ID: 18996019 [TBL] [Abstract][Full Text] [Related]
38. Enhancing reaction-based de novo design using a multi-label reaction class recommender. Ghiandoni GM; Bodkin MJ; Chen B; Hristozov D; Wallace JEA; Webster J; Gillet VJ J Comput Aided Mol Des; 2020 Jul; 34(7):783-803. PubMed ID: 32112286 [TBL] [Abstract][Full Text] [Related]
39. Further development and validation of empirical scoring functions for structure-based binding affinity prediction. Wang R; Lai L; Wang S J Comput Aided Mol Des; 2002 Jan; 16(1):11-26. PubMed ID: 12197663 [TBL] [Abstract][Full Text] [Related]
40. PRO-LIGAND: an approach to de novo molecular design. 3. A genetic algorithm for structure refinement. Westhead DR; Clark DE; Frenkel D; Li J; Murray CW; Robson B; Waszkowycz B J Comput Aided Mol Des; 1995 Apr; 9(2):139-48. PubMed ID: 7608745 [TBL] [Abstract][Full Text] [Related] [Previous] [Next] [New Search]