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 *

222 related articles for article (PubMed ID: 34168840)

  • 21. Structure-based virtual screening of the nociceptin receptor: hybrid docking and shape-based approaches for improved hit identification.
    Daga PR; Polgar WE; Zaveri NT
    J Chem Inf Model; 2014 Oct; 54(10):2732-43. PubMed ID: 25148595
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Large-Scale Pretraining Improves Sample Efficiency of Active Learning-Based Virtual Screening.
    Cao Z; Sciabola S; Wang Y
    J Chem Inf Model; 2024 Mar; 64(6):1882-1891. PubMed ID: 38442000
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Hierarchical virtual screening approaches in small molecule drug discovery.
    Kumar A; Zhang KY
    Methods; 2015 Jan; 71():26-37. PubMed ID: 25072167
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Molecular docking-based computational platform for high-throughput virtual screening.
    Zhang B; Li H; Yu K; Jin Z
    CCF Trans High Perform Comput; 2022; 4(1):63-74. PubMed ID: 35039800
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Function and structure-based screening of compounds, peptides and proteins to identify drug candidates.
    Malik V; Dhanjal JK; Kumari A; Radhakrishnan N; Singh K; Sundar D
    Methods; 2017 Dec; 131():10-21. PubMed ID: 28843611
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Machine learning classification can reduce false positives in structure-based virtual screening.
    Adeshina YO; Deeds EJ; Karanicolas J
    Proc Natl Acad Sci U S A; 2020 Aug; 117(31):18477-18488. PubMed ID: 32669436
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Ligand docking and structure-based virtual screening in drug discovery.
    Cavasotto CN; Orry AJ
    Curr Top Med Chem; 2007; 7(10):1006-14. PubMed ID: 17508934
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Pose Classification Using Three-Dimensional Atomic Structure-Based Neural Networks Applied to Ion Channel-Ligand Docking.
    Shim H; Kim H; Allen JE; Wulff H
    J Chem Inf Model; 2022 May; 62(10):2301-2315. PubMed ID: 35447030
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Comprehensive Survey of Consensus Docking for High-Throughput Virtual Screening.
    Blanes-Mira C; Fernández-Aguado P; de Andrés-López J; Fernández-Carvajal A; Ferrer-Montiel A; Fernández-Ballester G
    Molecules; 2022 Dec; 28(1):. PubMed ID: 36615367
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Computational Toxicology Methods in Chemical Library Design and High-Throughput Screening Hit Validation.
    Hevener KE
    Methods Mol Biol; 2018; 1800():275-285. PubMed ID: 29934898
    [TBL] [Abstract][Full Text] [Related]  

  • 31. 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; 59(11):4678-4690. PubMed ID: 31593460
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Structure-Based Virtual Screening.
    Li Q; Shah S
    Methods Mol Biol; 2017; 1558():111-124. PubMed ID: 28150235
    [TBL] [Abstract][Full Text] [Related]  

  • 33. SCORCH: Improving structure-based virtual screening with machine learning classifiers, data augmentation, and uncertainty estimation.
    McGibbon M; Money-Kyrle S; Blay V; Houston DR
    J Adv Res; 2023 Apr; 46():135-147. PubMed ID: 35901959
    [TBL] [Abstract][Full Text] [Related]  

  • 34. A graph-based approach to construct target-focused libraries for virtual screening.
    Naderi M; Alvin C; Ding Y; Mukhopadhyay S; Brylinski M
    J Cheminform; 2016; 8():14. PubMed ID: 26981157
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Development of Ligand-based Big Data Deep Neural Network Models for Virtual Screening of Large Compound Libraries.
    Xiao T; Qi X; Chen Y; Jiang Y
    Mol Inform; 2018 Nov; 37(11):e1800031. PubMed ID: 29882343
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Enabling Systemic Identification and Functionality Profiling for Cdc42 Homeostatic Modulators.
    Malasala S; Azimian F; Chen YH; Twiss JL; Boykin C; Akhtar SN; Lu Q
    bioRxiv; 2024 Jan; ():. PubMed ID: 38260445
    [TBL] [Abstract][Full Text] [Related]  

  • 37. HierVLS hierarchical docking protocol for virtual ligand screening of large-molecule databases.
    Floriano WB; Vaidehi N; Zamanakos G; Goddard WA
    J Med Chem; 2004 Jan; 47(1):56-71. PubMed ID: 14695820
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Docking ligands into flexible and solvated macromolecules. 7. Impact of protein flexibility and water molecules on docking-based virtual screening accuracy.
    Therrien E; Weill N; Tomberg A; Corbeil CR; Lee D; Moitessier N
    J Chem Inf Model; 2014 Nov; 54(11):3198-210. PubMed ID: 25280064
    [TBL] [Abstract][Full Text] [Related]  

  • 39. The Impact of Supervised Learning Methods in Ultralarge High-Throughput Docking.
    Cavasotto CN; Di Filippo JI
    J Chem Inf Model; 2023 Apr; 63(8):2267-2280. PubMed ID: 37036491
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Computational protein-ligand docking and virtual drug screening with the AutoDock suite.
    Forli S; Huey R; Pique ME; Sanner MF; Goodsell DS; Olson AJ
    Nat Protoc; 2016 May; 11(5):905-19. PubMed ID: 27077332
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 12.