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.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

129 related articles for article (PubMed ID: 31943821)

  • 1. Effect of Structural Descriptors on the Design of Cyclin Dependent Kinase Inhibitors Using Similarity-based Molecular Evolution.
    Kawai K; Karuo Y; Tarui A; Sato K; Omote M
    Mol Inform; 2020 May; 39(5):e1900126. PubMed ID: 31943821
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Protein-Protein Interaction for the De Novo Design of Cyclin-Dependent Kinase Peptide Inhibitors.
    Arumugasamy K; Tripathi SK; Singh P; Singh SK
    Methods Mol Biol; 2016; 1336():59-66. PubMed ID: 26231708
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Bit silencing in fingerprints enables the derivation of compound class-directed similarity metrics.
    Wang Y; Bajorath J
    J Chem Inf Model; 2008 Sep; 48(9):1754-9. PubMed ID: 18698839
    [TBL] [Abstract][Full Text] [Related]  

  • 4. How diverse are diversity assessment methods? A comparative analysis and benchmarking of molecular descriptor space.
    Koutsoukas A; Paricharak S; Galloway WR; Spring DR; Ijzerman AP; Glen RC; Marcus D; Bender A
    J Chem Inf Model; 2014 Jan; 54(1):230-42. PubMed ID: 24289493
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Design and evaluation of a molecular fingerprint involving the transformation of property descriptor values into a binary classification scheme.
    Xue L; Godden JW; Stahura FL; Bajorath J
    J Chem Inf Comput Sci; 2003; 43(4):1151-7. PubMed ID: 12870906
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Docking-based development of purine-like inhibitors of cyclin-dependent kinase-2.
    Otyepka M; Krystof V; Havlícek L; Siglerová V; Strnad M; Koca J
    J Med Chem; 2000 Jun; 43(13):2506-13. PubMed ID: 10891109
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Modeling Tanimoto Similarity Value Distributions and Predicting Search Results.
    Vogt M; Bajorath J
    Mol Inform; 2017 Jul; 36(7):. PubMed ID: 28032955
    [TBL] [Abstract][Full Text] [Related]  

  • 8. RelACCS-FP: a structural minimalist approach to fingerprint design.
    Hu Y; Lounkine E; Batista J; Bajorath J
    Chem Biol Drug Des; 2008 Nov; 72(5):341-9. PubMed ID: 19012570
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Loop flexibility and solvent dynamics as determinants for the selective inhibition of cyclin-dependent kinase 4: comparative molecular dynamics simulation studies of CDK2 and CDK4.
    Park H; Yeom MS; Lee S
    Chembiochem; 2004 Dec; 5(12):1662-72. PubMed ID: 15505811
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Development of Inhibitors of Protein-protein Interactions through REPLACE: Application to the Design and Development Non-ATP Competitive CDK Inhibitors.
    Nandha Premnath P; Craig S; McInnes C
    J Vis Exp; 2015 Oct; (105):e52441. PubMed ID: 26554946
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Design and evaluation of a novel class-directed 2D fingerprint to search for structurally diverse active compounds.
    Eckert H; Bajorath J
    J Chem Inf Model; 2006; 46(6):2515-26. PubMed ID: 17125192
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Selecting optimally diverse compounds from structure databases: a validation study of two-dimensional and three-dimensional molecular descriptors.
    Matter H
    J Med Chem; 1997 Apr; 40(8):1219-29. PubMed ID: 9111296
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Structure-based generation of a new class of potent Cdk4 inhibitors: new de novo design strategy and library design.
    Honma T; Hayashi K; Aoyama T; Hashimoto N; Machida T; Fukasawa K; Iwama T; Ikeura C; Ikuta M; Suzuki-Takahashi I; Iwasawa Y; Hayama T; Nishimura S; Morishima H
    J Med Chem; 2001 Dec; 44(26):4615-27. PubMed ID: 11741479
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Profile scaling increases the similarity search performance of molecular fingerprints containing numerical descriptors and structural keys.
    Xue L; Godden JW; Stahura FL; Bajorath J
    J Chem Inf Comput Sci; 2003; 43(4):1218-25. PubMed ID: 12870914
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Reduction and recombination of fingerprints of different design increase compound recall and the structural diversity of hits.
    Nisius B; Bajorath J
    Chem Biol Drug Des; 2010 Feb; 75(2):152-60. PubMed ID: 20028390
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Coupling structure-based design with combinatorial chemistry: application of active site derived pharmacophores with informative library design.
    Eksterowicz JE; Evensen E; Lemmen C; Brady GP; Lanctot JK; Bradley EK; Saiah E; Robinson LA; Grootenhuis PD; Blaney JM
    J Mol Graph Model; 2002 Jun; 20(6):469-77. PubMed ID: 12071281
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Recent advances on CDK inhibitors: An insight by means of in silico methods.
    Tutone M; Almerico AM
    Eur J Med Chem; 2017 Dec; 142():300-315. PubMed ID: 28802482
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Structure-based discovery and optimization of potential cancer therapeutics targeting the cell cycle.
    Thomas MP; McInnes C
    IDrugs; 2006 Apr; 9(4):273-8. PubMed ID: 16596481
    [TBL] [Abstract][Full Text] [Related]  

  • 19. X-ray crystallographic studies of CDK2, a basis for cyclin-dependent kinase inhibitor design in anti-cancer drug research.
    Furet P
    Curr Med Chem Anticancer Agents; 2003 Jan; 3(1):15-23. PubMed ID: 12678911
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Mini-fingerprints for virtual screening: design principles and generation of novel prototypes based on information theory.
    Xue L; Godden JW; Bajorath J
    SAR QSAR Environ Res; 2003 Feb; 14(1):27-40. PubMed ID: 12688414
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.