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Journal Abstract Search

340 related items for PubMed ID: 30051601

  • 1. Chemistry-driven Hit-to-lead Optimization Guided by Structure-based Approaches.
    Hoffer L, Muller C, Roche P, Morelli X.
    Mol Inform; 2018 Sep; 37(9-10):e1800059. PubMed ID: 30051601
    [Abstract] [Full Text] [Related]

  • 2. Computational Methods Used in Hit-to-Lead and Lead Optimization Stages of Structure-Based Drug Discovery.
    Heifetz A, Southey M, Morao I, Townsend-Nicholson A, Bodkin MJ.
    Methods Mol Biol; 2018 Sep; 1705():375-394. PubMed ID: 29188574
    [Abstract] [Full Text] [Related]

  • 3. Docking and Virtual Screening in Drug Discovery.
    Kontoyianni M.
    Methods Mol Biol; 2017 Sep; 1647():255-266. PubMed ID: 28809009
    [Abstract] [Full Text] [Related]

  • 4. Integrated Strategy for Lead Optimization Based on Fragment Growing: The Diversity-Oriented-Target-Focused-Synthesis Approach.
    Hoffer L, Voitovich YV, Raux B, Carrasco K, Muller C, Fedorov AY, Derviaux C, Amouric A, Betzi S, Horvath D, Varnek A, Collette Y, Combes S, Roche P, Morelli X.
    J Med Chem; 2018 Jul 12; 61(13):5719-5732. PubMed ID: 29883107
    [Abstract] [Full Text] [Related]

  • 5. The compromise of virtual screening and its impact on drug discovery.
    Slater O, Kontoyianni M.
    Expert Opin Drug Discov; 2019 Jul 12; 14(7):619-637. PubMed ID: 31025886
    [Abstract] [Full Text] [Related]

  • 6. Protocol for hit-to-lead optimization of compounds by auto in silico ligand directing evolution (AILDE) approach.
    Mei L, Wu F, Hao G, Yang G.
    STAR Protoc; 2021 Mar 19; 2(1):100312. PubMed ID: 33554146
    [Abstract] [Full Text] [Related]

  • 7. A Structure-Based Drug Discovery Paradigm.
    Batool M, Ahmad B, Choi S.
    Int J Mol Sci; 2019 Jun 06; 20(11):. PubMed ID: 31174387
    [Abstract] [Full Text] [Related]

  • 8. Fragment based drug design: from experimental to computational approaches.
    Kumar A, Voet A, Zhang KY.
    Curr Med Chem; 2012 Jun 06; 19(30):5128-47. PubMed ID: 22934764
    [Abstract] [Full Text] [Related]

  • 9. Fragment-based drug discovery and molecular docking in drug design.
    Wang T, Wu MB, Chen ZJ, Chen H, Lin JP, Yang LR.
    Curr Pharm Biotechnol; 2015 Jun 06; 16(1):11-25. PubMed ID: 25420726
    [Abstract] [Full Text] [Related]

  • 10. [Fragment-based drug discovery: concept and aim].
    Tanaka D.
    Yakugaku Zasshi; 2010 Mar 06; 130(3):315-23. PubMed ID: 20190516
    [Abstract] [Full Text] [Related]

  • 11. [Computational chemistry in structure-based drug design].
    Cao R, Li W, Sun HZ, Zhou Y, Huang N.
    Yao Xue Xue Bao; 2013 Jul 06; 48(7):1041-52. PubMed ID: 24133970
    [Abstract] [Full Text] [Related]

  • 12. In-silico guided discovery of novel CCR9 antagonists.
    Zhang X, Cross JB, Romero J, Heifetz A, Humphries E, Hall K, Wu Y, Stucka S, Zhang J, Chandonnet H, Lippa B, Ryan MD, Baber JC.
    J Comput Aided Mol Des; 2018 Apr 06; 32(4):573-582. PubMed ID: 29582229
    [Abstract] [Full Text] [Related]

  • 13. Discovery and Development of ATP-Competitive mTOR Inhibitors Using Computational Approaches.
    Luo Y, Wang L.
    Curr Pharm Des; 2017 Nov 16; 23(29):4321-4331. PubMed ID: 28699534
    [Abstract] [Full Text] [Related]

  • 14. Recent advances in structure-based drug design and virtual screening of VEGFR tyrosine kinase inhibitors.
    Hoi PM, Li S, Vong CT, Tseng HH, Kwan YW, Lee SM.
    Methods; 2015 Jan 16; 71():85-91. PubMed ID: 25239735
    [Abstract] [Full Text] [Related]

  • 15.
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  • 16. Rapid Identification of Potential Drug Candidates from Multi-Million Compounds' Repositories. Combination of 2D Similarity Search with 3D Ligand/Structure Based Methods and In Vitro Screening.
    Szilágyi K, Flachner B, Hajdú I, Szaszkó M, Dobi K, Lőrincz Z, Cseh S, Dormán G.
    Molecules; 2021 Sep 15; 26(18):. PubMed ID: 34577064
    [Abstract] [Full Text] [Related]

  • 17. Cheminformatics in Drug Discovery, an Industrial Perspective.
    Chen H, Kogej T, Engkvist O.
    Mol Inform; 2018 Sep 15; 37(9-10):e1800041. PubMed ID: 29774657
    [Abstract] [Full Text] [Related]

  • 18. Fragment-Based Discovery and Optimization of Enzyme Inhibitors by Docking of Commercial Chemical Space.
    Rudling A, Gustafsson R, Almlöf I, Homan E, Scobie M, Warpman Berglund U, Helleday T, Stenmark P, Carlsson J.
    J Med Chem; 2017 Oct 12; 60(19):8160-8169. PubMed ID: 28929756
    [Abstract] [Full Text] [Related]

  • 19. Computational drug discovery.
    Ou-Yang SS, Lu JY, Kong XQ, Liang ZJ, Luo C, Jiang H.
    Acta Pharmacol Sin; 2012 Sep 12; 33(9):1131-40. PubMed ID: 22922346
    [Abstract] [Full Text] [Related]

  • 20. From Protein Structure to Small-Molecules: Recent Advances and Applications to Fragment-Based Drug Discovery.
    Ferreira LG, Andricopulo AD.
    Curr Top Med Chem; 2017 Sep 12; 17(20):2260-2270. PubMed ID: 28240184
    [Abstract] [Full Text] [Related]

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