BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

167 related articles for article (PubMed ID: 33051641)

  • 1. MCCS, a novel characterization method for protein-ligand complex.
    Chen M; Feng Z; Wang S; Lin W; Xie XQ
    Brief Bioinform; 2021 Jul; 22(4):. PubMed ID: 33051641
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Binding Characterization of GPCRs-Modulator by Molecular Complex Characterizing System (MCCS).
    Feng Z; Liang T; Wang S; Chen M; Hou T; Zhao J; Chen H; Zhou Y; Xie XQ
    ACS Chem Neurosci; 2020 Oct; 11(20):3333-3345. PubMed ID: 32941011
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Binding Characterization of Agonists and Antagonists by MCCS: A Case Study from Adenosine A
    Cheng J; Chen M; Wang S; Liang T; Chen H; Chen CJ; Feng Z; Xie XQ
    ACS Chem Neurosci; 2021 May; 12(9):1606-1620. PubMed ID: 33856784
    [TBL] [Abstract][Full Text] [Related]  

  • 4. 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]  

  • 5. 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]  

  • 6. Negative allosteric modulators of cannabinoid receptor 2: protein modeling, binding site identification and molecular dynamics simulations in the presence of an orthosteric agonist.
    Pandey P; Roy KK; Doerksen RJ
    J Biomol Struct Dyn; 2020 Jan; 38(1):32-47. PubMed ID: 30652534
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Molecular Modeling Study of a Receptor-Orthosteric Ligand-Allosteric Modulator Signaling Complex.
    Jiang C; He X; Wang Y; Chen CJ; Othman Y; Hao Y; Yuan J; Xie XQ; Feng Z
    ACS Chem Neurosci; 2023 Feb; 14(3):418-434. PubMed ID: 36692197
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Free Energy Calculations Using the Movable Type Method with Molecular Dynamics Driven Protein-Ligand Sampling.
    Liu W; Liu Z; Liu H; Westerhoff LM; Zheng Z
    J Chem Inf Model; 2022 Nov; 62(22):5645-5665. PubMed ID: 36282990
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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]  

  • 10. Identification and characterization of fragment binding sites for allosteric ligand design using the site identification by ligand competitive saturation hotspots approach (SILCS-Hotspots).
    MacKerell AD; Jo S; Lakkaraju SK; Lind C; Yu W
    Biochim Biophys Acta Gen Subj; 2020 Apr; 1864(4):129519. PubMed ID: 31911242
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Molecular Dynamics as a Tool for Virtual Ligand Screening.
    Menchon G; Maveyraud L; Czaplicki G
    Methods Mol Biol; 2018; 1762():145-178. PubMed ID: 29594772
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 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]  

  • 13. 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]  

  • 14. Molecular Dynamics in Mixed Solvents Reveals Protein-Ligand Interactions, Improves Docking, and Allows Accurate Binding Free Energy Predictions.
    Arcon JP; Defelipe LA; Modenutti CP; López ED; Alvarez-Garcia D; Barril X; Turjanski AG; Martí MA
    J Chem Inf Model; 2017 Apr; 57(4):846-863. PubMed ID: 28318252
    [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. Machine learning in computational docking.
    Khamis MA; Gomaa W; Ahmed WF
    Artif Intell Med; 2015 Mar; 63(3):135-52. PubMed ID: 25724101
    [TBL] [Abstract][Full Text] [Related]  

  • 17. A scalable and accurate method for classifying protein-ligand binding geometries using a MapReduce approach.
    Estrada T; Zhang B; Cicotti P; Armen RS; Taufer M
    Comput Biol Med; 2012 Jul; 42(7):758-71. PubMed ID: 22658682
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Enhance the performance of current scoring functions with the aid of 3D protein-ligand interaction fingerprints.
    Liu J; Su M; Liu Z; Li J; Li Y; Wang R
    BMC Bioinformatics; 2017 Jul; 18(1):343. PubMed ID: 28720122
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Evaluation of Protein-Ligand Docking by Cyscore.
    Cao Y; Dai W; Miao Z
    Methods Mol Biol; 2018; 1762():233-243. PubMed ID: 29594775
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Assessing the binding properties of CASP14 targets and models.
    Egbert M; Ghani U; Ashizawa R; Kotelnikov S; Nguyen T; Desta I; Hashemi N; Padhorny D; Kozakov D; Vajda S
    Proteins; 2021 Dec; 89(12):1922-1939. PubMed ID: 34368994
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.