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Journal Abstract Search

182 related items for PubMed ID: 37702938

  • 1. Automated Virtual Screening.
    Sykora VJ.
    Methods Mol Biol; 2024; 2716():137-152. PubMed ID: 37702938
    [Abstract] [Full Text] [Related]

  • 2. ES-Screen: A Novel Electrostatics-Driven Method for Drug Discovery Virtual Screening.
    Issa NT, Byers SW, Dakshanamurthy S.
    Int J Mol Sci; 2022 Nov 27; 23(23):. PubMed ID: 36499162
    [Abstract] [Full Text] [Related]

  • 3. AutoPH4: An Automated Method for Generating Pharmacophore Models from Protein Binding Pockets.
    Jiang S, Feher M, Williams C, Cole B, Shaw DE.
    J Chem Inf Model; 2020 Sep 28; 60(9):4326-4338. PubMed ID: 32639159
    [Abstract] [Full Text] [Related]

  • 4. HIt Discovery using docking ENriched by GEnerative Modeling (HIDDEN GEM): A novel computational workflow for accelerated virtual screening of ultra-large chemical libraries.
    Popov KI, Wellnitz J, Maxfield T, Tropsha A.
    Mol Inform; 2024 Jan 28; 43(1):e202300207. PubMed ID: 37802967
    [Abstract] [Full Text] [Related]

  • 5. Exploration of the structural requirements of HIV-protease inhibitors using pharmacophore, virtual screening and molecular docking approaches for lead identification.
    Islam MA, Pillay TS.
    J Mol Graph Model; 2015 Mar 28; 56():20-30. PubMed ID: 25541527
    [Abstract] [Full Text] [Related]

  • 6. VSPrep: A KNIME Workflow for the Preparation of Molecular Databases for Virtual Screening.
    Gally JM, Bourg S, Fogha J, Do QT, Aci-Sèche S, Bonnet P.
    Curr Med Chem; 2020 Mar 28; 27(38):6480-6494. PubMed ID: 31242833
    [Abstract] [Full Text] [Related]

  • 7. Computational drug discovery.
    Ou-Yang SS, Lu JY, Kong XQ, Liang ZJ, Luo C, Jiang H.
    Acta Pharmacol Sin; 2012 Sep 28; 33(9):1131-40. PubMed ID: 22922346
    [Abstract] [Full Text] [Related]

  • 8. Integrated in silico-in vitro strategy for screening of some traditional Egyptian plants for human aromatase inhibitors.
    Dawood HM, Ibrahim RS, Shawky E, Hammoda HM, Metwally AM.
    J Ethnopharmacol; 2018 Oct 05; 224():359-372. PubMed ID: 29909120
    [Abstract] [Full Text] [Related]

  • 9. Methods for Virtual Screening of GPCR Targets: Approaches and Challenges.
    Cross JB.
    Methods Mol Biol; 2018 Oct 05; 1705():233-264. PubMed ID: 29188566
    [Abstract] [Full Text] [Related]

  • 10. Chemical feature-based pharmacophores and virtual library screening for discovery of new leads.
    Langer T, Krovat EM.
    Curr Opin Drug Discov Devel; 2003 May 05; 6(3):370-6. PubMed ID: 12833670
    [Abstract] [Full Text] [Related]

  • 11. Cosolvent-Based Protein Pharmacophore for Ligand Enrichment in Virtual Screening.
    Arcon JP, Defelipe LA, Lopez ED, Burastero O, Modenutti CP, Barril X, Marti MA, Turjanski AG.
    J Chem Inf Model; 2019 Aug 26; 59(8):3572-3583. PubMed ID: 31373819
    [Abstract] [Full Text] [Related]

  • 12. The Development of Pharmacophore Modeling: Generation and Recent Applications in Drug Discovery.
    Lu X, Yang H, Chen Y, Li Q, He SY, Jiang X, Feng F, Qu W, Sun H.
    Curr Pharm Des; 2018 Aug 26; 24(29):3424-3439. PubMed ID: 30101699
    [Abstract] [Full Text] [Related]

  • 13. Regression-Based Active Learning for Accessible Acceleration of Ultra-Large Library Docking.
    Marin E, Kovaleva M, Kadukova M, Mustafin K, Khorn P, Rogachev A, Mishin A, Guskov A, Borshchevskiy V.
    J Chem Inf Model; 2024 Apr 08; 64(7):2612-2623. PubMed ID: 38157481
    [Abstract] [Full Text] [Related]

  • 14. Pharmacophore-based virtual screening approach for identification of potent natural modulatory compounds of human Toll-like receptor 7.
    Gupta CL, Babu Khan M, Ampasala DR, Akhtar S, Dwivedi UN, Bajpai P.
    J Biomol Struct Dyn; 2019 Nov 08; 37(18):4721-4736. PubMed ID: 30661449
    [Abstract] [Full Text] [Related]

  • 15. Docking and Virtual Screening in Drug Discovery.
    Kontoyianni M.
    Methods Mol Biol; 2017 Nov 08; 1647():255-266. PubMed ID: 28809009
    [Abstract] [Full Text] [Related]

  • 16. Protein Preparation Automatic Protocol for High-Throughput Inverse Virtual Screening: Accelerating the Target Identification by Computational Methods.
    De Vita S, Lauro G, Ruggiero D, Terracciano S, Riccio R, Bifulco G.
    J Chem Inf Model; 2019 Nov 25; 59(11):4678-4690. PubMed ID: 31593460
    [Abstract] [Full Text] [Related]

  • 17. Pharmacophore Modelling and Virtual Screening Studies for the Discovery of Potential Natural Products Based PDE1B Inhibitor Lead Compounds.
    Shy TW, Gaurav A.
    Cent Nerv Syst Agents Med Chem; 2021 Nov 25; 21(3):195-204. PubMed ID: 34970959
    [Abstract] [Full Text] [Related]

  • 18. ESSENCE-Dock: A Consensus-Based Approach to Enhance Virtual Screening Enrichment in Drug Discovery.
    Nelen J, Carmena-Bargueño M, Martínez-Cortés C, Rodríguez-Martínez A, Villalgordo-Soto JM, Pérez-Sánchez H.
    J Chem Inf Model; 2024 Mar 11; 64(5):1605-1614. PubMed ID: 38416513
    [Abstract] [Full Text] [Related]

  • 19. Virtual Screening in the Cloud: How Big Is Big Enough?
    Grebner C, Malmerberg E, Shewmaker A, Batista J, Nicholls A, Sadowski J.
    J Chem Inf Model; 2020 Sep 28; 60(9):4274-4282. PubMed ID: 31682421
    [Abstract] [Full Text] [Related]

  • 20. Chemistry-driven Hit-to-lead Optimization Guided by Structure-based Approaches.
    Hoffer L, Muller C, Roche P, Morelli X.
    Mol Inform; 2018 Sep 28; 37(9-10):e1800059. PubMed ID: 30051601
    [Abstract] [Full Text] [Related]

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