BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

199 related articles for article (PubMed ID: 30615878)

  • 1. The CSD Drug Subset: The Changing Chemistry and Crystallography of Small Molecule Pharmaceuticals.
    Bryant MJ; Black SN; Blade H; Docherty R; Maloney AGP; Taylor SC
    J Pharm Sci; 2019 May; 108(5):1655-1662. PubMed ID: 30615878
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Use of Crystal Structure Informatics for Defining the Conformational Space Needed for Predicting Crystal Structures of Pharmaceutical Molecules.
    Iuzzolino L; Reilly AM; McCabe P; Price SL
    J Chem Theory Comput; 2017 Oct; 13(10):5163-5171. PubMed ID: 28892623
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Bridging Crystal Engineering and Drug Discovery by Utilizing Intermolecular Interactions and Molecular Shapes in Crystals.
    Spackman PR; Yu LJ; Morton CJ; Parker MW; Bond CS; Spackman MA; Jayatilaka D; Thomas SP
    Angew Chem Int Ed Engl; 2019 Nov; 58(47):16780-16784. PubMed ID: 31385643
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Using more than 801 296 small-molecule crystal structures to aid in protein structure refinement and analysis.
    Cole JC; Giangreco I; Groom CR
    Acta Crystallogr D Struct Biol; 2017 Mar; 73(Pt 3):234-239. PubMed ID: 28291758
    [TBL] [Abstract][Full Text] [Related]  

  • 5. 970 million druglike small molecules for virtual screening in the chemical universe database GDB-13.
    Blum LC; Reymond JL
    J Am Chem Soc; 2009 Jul; 131(25):8732-3. PubMed ID: 19505099
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Small molecule conformational preferences derived from crystal structure data. A medicinal chemistry focused analysis.
    Brameld KA; Kuhn B; Reuter DC; Stahl M
    J Chem Inf Model; 2008 Jan; 48(1):1-24. PubMed ID: 18183967
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Validating and understanding ring conformations using small molecule crystallographic data.
    Cottrell SJ; Olsson TS; Taylor R; Cole JC; Liebeschuetz JW
    J Chem Inf Model; 2012 Apr; 52(4):956-62. PubMed ID: 22372622
    [TBL] [Abstract][Full Text] [Related]  

  • 8. DrugBank: a comprehensive resource for in silico drug discovery and exploration.
    Wishart DS; Knox C; Guo AC; Shrivastava S; Hassanali M; Stothard P; Chang Z; Woolsey J
    Nucleic Acids Res; 2006 Jan; 34(Database issue):D668-72. PubMed ID: 16381955
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Torsion Library Reloaded: A New Version of Expert-Derived SMARTS Rules for Assessing Conformations of Small Molecules.
    Guba W; Meyder A; Rarey M; Hert J
    J Chem Inf Model; 2016 Jan; 56(1):1-5. PubMed ID: 26679290
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Medicinal Chemistry Aware Database GDBMedChem.
    Awale M; Sirockin F; Stiefl N; Reymond JL
    Mol Inform; 2019 Aug; 38(8-9):e1900031. PubMed ID: 31169974
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Pharmaceutical structure montages as catalysts for design and discovery.
    Njarðarson JT
    Future Med Chem; 2012 May; 4(8):951-4. PubMed ID: 22650237
    [TBL] [Abstract][Full Text] [Related]  

  • 12. The use of small-molecule structures to complement protein-ligand crystal structures in drug discovery.
    Groom CR; Cole JC
    Acta Crystallogr D Struct Biol; 2017 Mar; 73(Pt 3):240-245. PubMed ID: 28291759
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Validation and extraction of molecular-geometry information from small-molecule databases.
    Long F; Nicholls RA; Emsley P; Graǽulis S; Merkys A; Vaitkus A; Murshudov GN
    Acta Crystallogr D Struct Biol; 2017 Feb; 73(Pt 2):103-111. PubMed ID: 28177306
    [TBL] [Abstract][Full Text] [Related]  

  • 14. The Pharmaceutical Industry in 2016. An Analysis of FDA Drug Approvals from a Perspective of the Molecule Type.
    Torre BG; Albericio F
    Molecules; 2017 Feb; 22(3):. PubMed ID: 28264468
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Drug-likeness and increased hydrophobicity of commercially available compound libraries for drug screening.
    Zuegg J; Cooper MA
    Curr Top Med Chem; 2012; 12(14):1500-13. PubMed ID: 22827520
    [TBL] [Abstract][Full Text] [Related]  

  • 16. 'Metabolite-likeness' as a criterion in the design and selection of pharmaceutical drug libraries.
    Dobson PD; Patel Y; Kell DB
    Drug Discov Today; 2009 Jan; 14(1-2):31-40. PubMed ID: 19049901
    [TBL] [Abstract][Full Text] [Related]  

  • 17. DrugBank: a knowledgebase for drugs, drug actions and drug targets.
    Wishart DS; Knox C; Guo AC; Cheng D; Shrivastava S; Tzur D; Gautam B; Hassanali M
    Nucleic Acids Res; 2008 Jan; 36(Database issue):D901-6. PubMed ID: 18048412
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Comprehensive survey of chemical libraries for drug discovery and chemical biology: 2006.
    Dolle RE; Le Bourdonnec B; Goodman AJ; Morales GA; Salvino JM; Zhang W
    J Comb Chem; 2007; 9(6):855-902. PubMed ID: 17877417
    [No Abstract]   [Full Text] [Related]  

  • 19. Expanding the medicinally relevant chemical space with compound libraries.
    López-Vallejo F; Giulianotti MA; Houghten RA; Medina-Franco JL
    Drug Discov Today; 2012 Jul; 17(13-14):718-26. PubMed ID: 22515962
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Rendezvous in chemical space? Comparing the small molecule compound libraries of Bayer and Schering.
    Schamberger J; Grimm M; Steinmeyer A; Hillisch A
    Drug Discov Today; 2011 Jul; 16(13-14):636-41. PubMed ID: 21554978
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 10.