BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

171 related articles for article (PubMed ID: 34718205)

  • 1. Docking and scoring for nucleic acid-ligand interactions: Principles and current status.
    Feng Y; Yan Y; He J; Tao H; Wu Q; Huang SY
    Drug Discov Today; 2022 Mar; 27(3):838-847. PubMed ID: 34718205
    [TBL] [Abstract][Full Text] [Related]  

  • 2. NLDock: a Fast Nucleic Acid-Ligand Docking Algorithm for Modeling RNA/DNA-Ligand Complexes.
    Feng Y; Zhang K; Wu Q; Huang SY
    J Chem Inf Model; 2021 Sep; 61(9):4771-4782. PubMed ID: 34468128
    [TBL] [Abstract][Full Text] [Related]  

  • 3. ITScore-NL: An Iterative Knowledge-Based Scoring Function for Nucleic Acid-Ligand Interactions.
    Feng Y; Huang SY
    J Chem Inf Model; 2020 Dec; 60(12):6698-6708. PubMed ID: 33291885
    [TBL] [Abstract][Full Text] [Related]  

  • 4. An Overview of Scoring Functions Used for Protein-Ligand Interactions in Molecular Docking.
    Li J; Fu A; Zhang L
    Interdiscip Sci; 2019 Jun; 11(2):320-328. PubMed ID: 30877639
    [TBL] [Abstract][Full Text] [Related]  

  • 5. How Good Are Current Docking Programs at Nucleic Acid-Ligand Docking? A Comprehensive Evaluation.
    Jiang D; Zhao H; Du H; Deng Y; Wu Z; Wang J; Zeng Y; Zhang H; Wang X; Wu J; Hsieh CY; Hou T
    J Chem Theory Comput; 2023 Aug; 19(16):5633-5647. PubMed ID: 37480347
    [TBL] [Abstract][Full Text] [Related]  

  • 6. RmsdXNA: RMSD prediction of nucleic acid-ligand docking poses using machine-learning method.
    Tan LH; Kwoh CK; Mu Y
    Brief Bioinform; 2024 Mar; 25(3):. PubMed ID: 38695120
    [TBL] [Abstract][Full Text] [Related]  

  • 7. SPA-LN: a scoring function of ligand-nucleic acid interactions via optimizing both specificity and affinity.
    Yan Z; Wang J
    Nucleic Acids Res; 2017 Jul; 45(12):e110. PubMed ID: 28431169
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Search strategies and evaluation in protein-protein docking: principles, advances and challenges.
    Huang SY
    Drug Discov Today; 2014 Aug; 19(8):1081-96. PubMed ID: 24594385
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Advancements in Docking and Molecular Dynamics Simulations Towards Ligand-receptor Interactions and Structure-function Relationships.
    Naqvi AAT; Mohammad T; Hasan GM; Hassan MI
    Curr Top Med Chem; 2018; 18(20):1755-1768. PubMed ID: 30360721
    [TBL] [Abstract][Full Text] [Related]  

  • 10. 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]  

  • 11. Recent Advances in Protein-Protein Docking.
    Zhang Q; Feng T; Xu L; Sun H; Pan P; Li Y; Li D; Hou T
    Curr Drug Targets; 2016; 17(14):1586-1594. PubMed ID: 26758670
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Protein-ligand docking: current status and future challenges.
    Sousa SF; Fernandes PA; Ramos MJ
    Proteins; 2006 Oct; 65(1):15-26. PubMed ID: 16862531
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 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]  

  • 14. HotLig: a molecular surface-directed approach to scoring protein-ligand interactions.
    Wang SH; Wu YT; Kuo SC; Yu J
    J Chem Inf Model; 2013 Aug; 53(8):2181-95. PubMed ID: 23862697
    [TBL] [Abstract][Full Text] [Related]  

  • 15. 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]  

  • 16. Improving docking results via reranking of ensembles of ligand poses in multiple X-ray protein conformations with MM-GBSA.
    Greenidge PA; Kramer C; Mozziconacci JC; Sherman W
    J Chem Inf Model; 2014 Oct; 54(10):2697-717. PubMed ID: 25266271
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Advances and challenges in protein-ligand docking.
    Huang SY; Zou X
    Int J Mol Sci; 2010 Aug; 11(8):3016-34. PubMed ID: 21152288
    [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. An evaluation of combined strategies for improving the performance of molecular docking.
    Xu S; Wang L; Pan X
    J Bioinform Comput Biol; 2021 Apr; 19(2):2150003. PubMed ID: 33641636
    [TBL] [Abstract][Full Text] [Related]  

  • 20. GalaxyDock BP2 score: a hybrid scoring function for accurate protein-ligand docking.
    Baek M; Shin WH; Chung HW; Seok C
    J Comput Aided Mol Des; 2017 Jul; 31(7):653-666. PubMed ID: 28623486
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.