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 *

275 related articles for article (PubMed ID: 36065847)

  • 1. Benchmarking AlphaFold-enabled molecular docking predictions for antibiotic discovery.
    Wong F; Krishnan A; Zheng EJ; Stärk H; Manson AL; Earl AM; Jaakkola T; Collins JJ
    Mol Syst Biol; 2022 Sep; 18(9):e11081. PubMed ID: 36065847
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Benchmarking Refined and Unrefined AlphaFold2 Structures for Hit Discovery.
    Zhang Y; Vass M; Shi D; Abualrous E; Chambers JM; Chopra N; Higgs C; Kasavajhala K; Li H; Nandekar P; Sato H; Miller EB; Repasky MP; Jerome SV
    J Chem Inf Model; 2023 Mar; 63(6):1656-1667. PubMed ID: 36897766
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Incorporating backbone flexibility in MedusaDock improves ligand-binding pose prediction in the CSAR2011 docking benchmark.
    Ding F; Dokholyan NV
    J Chem Inf Model; 2013 Aug; 53(8):1871-9. PubMed ID: 23237273
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Benchmarking AlphaFold for protein complex modeling reveals accuracy determinants.
    Yin R; Feng BY; Varshney A; Pierce BG
    Protein Sci; 2022 Aug; 31(8):e4379. PubMed ID: 35900023
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Nonlinear scoring functions for similarity-based ligand docking and binding affinity prediction.
    Brylinski M
    J Chem Inf Model; 2013 Nov; 53(11):3097-112. PubMed ID: 24171431
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Toward fully automated high performance computing drug discovery: a massively parallel virtual screening pipeline for docking and molecular mechanics/generalized Born surface area rescoring to improve enrichment.
    Zhang X; Wong SE; Lightstone FC
    J Chem Inf Model; 2014 Jan; 54(1):324-37. PubMed ID: 24358939
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Predicting Protein-Peptide Interactions: Benchmarking Deep Learning Techniques and a Comparison with Focused Docking.
    Shanker S; Sanner MF
    J Chem Inf Model; 2023 May; 63(10):3158-3170. PubMed ID: 37167566
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Boosted neural networks scoring functions for accurate ligand docking and ranking.
    Ashtawy HM; Mahapatra NR
    J Bioinform Comput Biol; 2018 Apr; 16(2):1850004. PubMed ID: 29495922
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Cross-docking benchmark for automated pose and ranking prediction of ligand binding.
    Wierbowski SD; Wingert BM; Zheng J; Camacho CJ
    Protein Sci; 2020 Jan; 29(1):298-305. PubMed ID: 31721338
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Benchmarking GPCR homology model template selection in combination with de novo loop generation.
    Szwabowski GL; Castleman PN; Sears CK; Wink LH; Cole JA; Baker DL; Parrill AL
    J Comput Aided Mol Des; 2020 Oct; 34(10):1027-1044. PubMed ID: 32737667
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Evaluation of AlphaFold2 structures as docking targets.
    Holcomb M; Chang YT; Goodsell DS; Forli S
    Protein Sci; 2023 Jan; 32(1):e4530. PubMed ID: 36479776
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Ligand-Enhanced Negative Images Optimized for Docking Rescoring.
    Kurkinen ST; Lehtonen JV; Pentikäinen OT; Postila PA
    Int J Mol Sci; 2022 Jul; 23(14):. PubMed ID: 35887220
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Hic Sunt Dracones: Molecular Docking in Uncharted Territories with Structures from AlphaFold2 and RoseTTAfold.
    Kersten C; Clower S; Barthels F
    J Chem Inf Model; 2023 Apr; 63(7):2218-2225. PubMed ID: 36884022
    [TBL] [Abstract][Full Text] [Related]  

  • 14. How accurately can one predict drug binding modes using AlphaFold models?
    Karelina M; Noh JJ; Dror RO
    Elife; 2023 Dec; 12():. PubMed ID: 38131311
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Advances in Docking.
    Sulimov VB; Kutov DC; Sulimov AV
    Curr Med Chem; 2019; 26(42):7555-7580. PubMed ID: 30182836
    [TBL] [Abstract][Full Text] [Related]  

  • 16. LEADS-FRAG: A Benchmark Data Set for Assessment of Fragment Docking Performance.
    Chachulski L; Windshügel B
    J Chem Inf Model; 2020 Dec; 60(12):6544-6554. PubMed ID: 33289563
    [TBL] [Abstract][Full Text] [Related]  

  • 17. ProSelection: A Novel Algorithm to Select Proper Protein Structure Subsets for in Silico Target Identification and Drug Discovery Research.
    Wang N; Wang L; Xie XQ
    J Chem Inf Model; 2017 Nov; 57(11):2686-2698. PubMed ID: 29016123
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Rescoring of docking poses under Occam's Razor: are there simpler solutions?
    Zhenin M; Bahia MS; Marcou G; Varnek A; Senderowitz H; Horvath D
    J Comput Aided Mol Des; 2018 Sep; 32(9):877-888. PubMed ID: 30173397
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Energy-based graph convolutional networks for scoring protein docking models.
    Cao Y; Shen Y
    Proteins; 2020 Aug; 88(8):1091-1099. PubMed ID: 32144844
    [TBL] [Abstract][Full Text] [Related]  

  • 20. GeauxDock: A novel approach for mixed-resolution ligand docking using a descriptor-based force field.
    Ding Y; Fang Y; Feinstein WP; Ramanujam J; Koppelman DM; Moreno J; Brylinski M; Jarrell M
    J Comput Chem; 2015 Oct; 36(27):2013-26. PubMed ID: 26250822
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 14.