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 *

169 related articles for article (PubMed ID: 33733530)

  • 1. EDock-ML: A web server for using ensemble docking with machine learning to aid drug discovery.
    Chandak T; Wong CF
    Protein Sci; 2021 May; 30(5):1087-1097. PubMed ID: 33733530
    [TBL] [Abstract][Full Text] [Related]  

  • 2. CovalentDock Cloud: a web server for automated covalent docking.
    Ouyang X; Zhou S; Ge Z; Li R; Kwoh CK
    Nucleic Acids Res; 2013 Jul; 41(Web Server issue):W329-32. PubMed ID: 23677616
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Using machine learning to improve ensemble docking for drug discovery.
    Chandak T; Mayginnes JP; Mayes H; Wong CF
    Proteins; 2020 Oct; 88(10):1263-1270. PubMed ID: 32401384
    [TBL] [Abstract][Full Text] [Related]  

  • 4. DeepScreening: a deep learning-based screening web server for accelerating drug discovery.
    Liu Z; Du J; Fang J; Yin Y; Xu G; Xie L
    Database (Oxford); 2019 Jan; 2019():. PubMed ID: 31608949
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Perturbation Theory/Machine Learning Model of ChEMBL Data for Dopamine Targets: Docking, Synthesis, and Assay of New l-Prolyl-l-leucyl-glycinamide Peptidomimetics.
    Ferreira da Costa J; Silva D; Caamaño O; Brea JM; Loza MI; Munteanu CR; Pazos A; García-Mera X; González-Díaz H
    ACS Chem Neurosci; 2018 Nov; 9(11):2572-2587. PubMed ID: 29791132
    [TBL] [Abstract][Full Text] [Related]  

  • 6. HPEPDOCK: a web server for blind peptide-protein docking based on a hierarchical algorithm.
    Zhou P; Jin B; Li H; Huang SY
    Nucleic Acids Res; 2018 Jul; 46(W1):W443-W450. PubMed ID: 29746661
    [TBL] [Abstract][Full Text] [Related]  

  • 7. MILCDock: Machine Learning Enhanced Consensus Docking for Virtual Screening in Drug Discovery.
    Morris CJ; Stern JA; Stark B; Christopherson M; Della Corte D
    J Chem Inf Model; 2022 Nov; 62(22):5342-5350. PubMed ID: 36342217
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Combined Ensemble Docking and Machine Learning in Identification of Therapeutic Agents with Potential Inhibitory Effect on Human CES1.
    Briand E; Thomsen R; Linnet K; Rasmussen HB; Brunak S; Taboureau O
    Molecules; 2019 Jul; 24(15):. PubMed ID: 31362390
    [TBL] [Abstract][Full Text] [Related]  

  • 9. A Machine Learning-Based Prediction Platform for P-Glycoprotein Modulators and Its Validation by Molecular Docking.
    Kadioglu O; Efferth T
    Cells; 2019 Oct; 8(10):. PubMed ID: 31640190
    [TBL] [Abstract][Full Text] [Related]  

  • 10. A Free Web-Based Protocol to Assist Structure-Based Virtual Screening Experiments.
    Lagarde N; Goldwaser E; Pencheva T; Jereva D; Pajeva I; Rey J; Tuffery P; Villoutreix BO; Miteva MA
    Int J Mol Sci; 2019 Sep; 20(18):. PubMed ID: 31546814
    [TBL] [Abstract][Full Text] [Related]  

  • 11. CABS-dock web server for the flexible docking of peptides to proteins without prior knowledge of the binding site.
    Kurcinski M; Jamroz M; Blaszczyk M; Kolinski A; Kmiecik S
    Nucleic Acids Res; 2015 Jul; 43(W1):W419-24. PubMed ID: 25943545
    [TBL] [Abstract][Full Text] [Related]  

  • 12. MTiOpenScreen: a web server for structure-based virtual screening.
    Labbé CM; Rey J; Lagorce D; Vavruša M; Becot J; Sperandio O; Villoutreix BO; Tufféry P; Miteva MA
    Nucleic Acids Res; 2015 Jul; 43(W1):W448-54. PubMed ID: 25855812
    [TBL] [Abstract][Full Text] [Related]  

  • 13. EDock: blind protein-ligand docking by replica-exchange monte carlo simulation.
    Zhang W; Bell EW; Yin M; Zhang Y
    J Cheminform; 2020 May; 12(1):37. PubMed ID: 33430966
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Sanjeevini: a freely accessible web-server for target directed lead molecule discovery.
    Jayaram B; Singh T; Mukherjee G; Mathur A; Shekhar S; Shekhar V
    BMC Bioinformatics; 2012; 13 Suppl 17(Suppl 17):S7. PubMed ID: 23282245
    [TBL] [Abstract][Full Text] [Related]  

  • 15. ALADDIN: Docking Approach Augmented by Machine Learning for Protein Structure Selection Yields Superior Virtual Screening Performance.
    Fan N; Bauer CA; Stork C; de Bruyn Kops C; Kirchmair J
    Mol Inform; 2020 Apr; 39(4):e1900103. PubMed ID: 31663691
    [TBL] [Abstract][Full Text] [Related]  

  • 16. ADMETboost: a web server for accurate ADMET prediction.
    Tian H; Ketkar R; Tao P
    J Mol Model; 2022 Dec; 28(12):408. PubMed ID: 36454321
    [TBL] [Abstract][Full Text] [Related]  

  • 17. ChemGenerator: a web server for generating potential ligands for specific targets.
    Yang J; Hou L; Liu KM; He WB; Cai Y; Yang FQ; Hu YJ
    Brief Bioinform; 2021 Jul; 22(4):. PubMed ID: 33381797
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning.
    Ricci-Lopez J; Aguila SA; Gilson MK; Brizuela CA
    J Chem Inf Model; 2021 Nov; 61(11):5362-5376. PubMed ID: 34652141
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Machine Learning Classification Models to Improve the Docking-based Screening: A Case of PI3K-Tankyrase Inhibitors.
    Berishvili VP; Voronkov AE; Radchenko EV; Palyulin VA
    Mol Inform; 2018 Nov; 37(11):e1800030. PubMed ID: 29901257
    [TBL] [Abstract][Full Text] [Related]  

  • 20. iScreen: world's first cloud-computing web server for virtual screening and de novo drug design based on TCM database@Taiwan.
    Tsai TY; Chang KW; Chen CY
    J Comput Aided Mol Des; 2011 Jun; 25(6):525-31. PubMed ID: 21647737
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.