BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

168 related articles for article (PubMed ID: 32338892)

  • 1. Binding Affinity Prediction by Pairwise Function Based on Neural Network.
    Zhu F; Zhang X; Allen JE; Jones D; Lightstone FC
    J Chem Inf Model; 2020 Jun; 60(6):2766-2772. PubMed ID: 32338892
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Evaluation of AutoDock and AutoDock Vina on the CASF-2013 Benchmark.
    Gaillard T
    J Chem Inf Model; 2018 Aug; 58(8):1697-1706. PubMed ID: 29989806
    [TBL] [Abstract][Full Text] [Related]  

  • 3. A New Scoring Function for Molecular Docking Based on AutoDock and AutoDock Vina.
    Tanchuk VY; Tanin VO; Vovk AI; Poda G
    Curr Drug Discov Technol; 2015; 12(3):170-8. PubMed ID: 26302746
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Comparative assessment of scoring functions on an updated benchmark: 2. Evaluation methods and general results.
    Li Y; Han L; Liu Z; Wang R
    J Chem Inf Model; 2014 Jun; 54(6):1717-36. PubMed ID: 24708446
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Forging the Basis for Developing Protein-Ligand Interaction Scoring Functions.
    Liu Z; Su M; Han L; Liu J; Yang Q; Li Y; Wang R
    Acc Chem Res; 2017 Feb; 50(2):302-309. PubMed ID: 28182403
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Predicting binding poses and affinities for protein - ligand complexes in the 2015 D3R Grand Challenge using a physical model with a statistical parameter estimation.
    Grudinin S; Kadukova M; Eisenbarth A; Marillet S; Cazals F
    J Comput Aided Mol Des; 2016 Sep; 30(9):791-804. PubMed ID: 27718029
    [TBL] [Abstract][Full Text] [Related]  

  • 7. PLANET: A Multi-objective Graph Neural Network Model for Protein-Ligand Binding Affinity Prediction.
    Zhang X; Gao H; Wang H; Chen Z; Zhang Z; Chen X; Li Y; Qi Y; Wang R
    J Chem Inf Model; 2024 Apr; 64(7):2205-2220. PubMed ID: 37319418
    [TBL] [Abstract][Full Text] [Related]  

  • 8. A New, Improved Hybrid Scoring Function for Molecular Docking and Scoring Based on AutoDock and AutoDock Vina.
    Tanchuk VY; Tanin VO; Vovk AI; Poda G
    Chem Biol Drug Des; 2016 Apr; 87(4):618-25. PubMed ID: 26643167
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Comprehensive evaluation of ten docking programs on a diverse set of protein-ligand complexes: the prediction accuracy of sampling power and scoring power.
    Wang Z; Sun H; Yao X; Li D; Xu L; Li Y; Tian S; Hou T
    Phys Chem Chem Phys; 2016 May; 18(18):12964-75. PubMed ID: 27108770
    [TBL] [Abstract][Full Text] [Related]  

  • 10. AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks.
    Kwon Y; Shin WH; Ko J; Lee J
    Int J Mol Sci; 2020 Nov; 21(22):. PubMed ID: 33182567
    [TBL] [Abstract][Full Text] [Related]  

  • 11. 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]  

  • 12. DockingApp RF: A State-of-the-Art Novel Scoring Function for Molecular Docking in a User-Friendly Interface to AutoDock Vina.
    Macari G; Toti D; Pasquadibisceglie A; Polticelli F
    Int J Mol Sci; 2020 Dec; 21(24):. PubMed ID: 33333976
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Deep Scoring Neural Network Replacing the Scoring Function Components to Improve the Performance of Structure-Based Molecular Docking.
    Yang L; Yang G; Chen X; Yang Q; Yao X; Bing Z; Niu Y; Huang L; Yang L
    ACS Chem Neurosci; 2021 Jun; 12(12):2133-2142. PubMed ID: 34081851
    [TBL] [Abstract][Full Text] [Related]  

  • 14. 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]  

  • 15. Improving classical scoring functions using random forest: The non-additivity of free energy terms' contributions in binding.
    Afifi K; Al-Sadek AF
    Chem Biol Drug Des; 2018 Aug; 92(2):1429-1434. PubMed ID: 29655201
    [TBL] [Abstract][Full Text] [Related]  

  • 16. A New Hybrid Neural Network Deep Learning Method for Protein-Ligand Binding Affinity Prediction and De Novo Drug Design.
    Limbu S; Dakshanamurthy S
    Int J Mol Sci; 2022 Nov; 23(22):. PubMed ID: 36430386
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Autodock Vina Adopts More Accurate Binding Poses but Autodock4 Forms Better Binding Affinity.
    Nguyen NT; Nguyen TH; Pham TNH; Huy NT; Bay MV; Pham MQ; Nam PC; Vu VV; Ngo ST
    J Chem Inf Model; 2020 Jan; 60(1):204-211. PubMed ID: 31887035
    [TBL] [Abstract][Full Text] [Related]  

  • 18. AutoDockFR: Advances in Protein-Ligand Docking with Explicitly Specified Binding Site Flexibility.
    Ravindranath PA; Forli S; Goodsell DS; Olson AJ; Sanner MF
    PLoS Comput Biol; 2015 Dec; 11(12):e1004586. PubMed ID: 26629955
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Comparative Assessment of Scoring Functions: The CASF-2016 Update.
    Su M; Yang Q; Du Y; Feng G; Liu Z; Li Y; Wang R
    J Chem Inf Model; 2019 Feb; 59(2):895-913. PubMed ID: 30481020
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Comparative assessment of scoring functions on an updated benchmark: 1. Compilation of the test set.
    Li Y; Liu Z; Li J; Han L; Liu J; Zhao Z; Wang R
    J Chem Inf Model; 2014 Jun; 54(6):1700-16. PubMed ID: 24716849
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.