BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

123 related articles for article (PubMed ID: 34856806)

  • 1. N-Terminal-Driven Binding Mechanism of an Antigen Peptide to Human Leukocyte Antigen-A*2402 Elucidated by Multicanonical Molecular Dynamic-Based Dynamic Docking and Path Sampling Simulations.
    Bekker GJ; Kamiya N
    J Phys Chem B; 2021 Dec; 125(49):13376-13384. PubMed ID: 34856806
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Elucidation of binding mechanism, affinity, and complex structure between mWT1 tumor-associated antigen peptide and HLA-A*24:02.
    Bekker GJ; Numoto N; Kawasaki M; Hayashi T; Yabuno S; Kozono Y; Shimizu T; Kozono H; Ito N; Oda M; Kamiya N
    Protein Sci; 2023 Oct; 32(10):e4775. PubMed ID: 37661929
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Dynamic Docking Using Multicanonical Molecular Dynamics: Simulating Complex Formation at the Atomistic Level.
    Bekker GJ; Kamiya N
    Methods Mol Biol; 2021; 2266():187-202. PubMed ID: 33759128
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Cryptic-site binding mechanism of medium-sized Bcl-xL inhibiting compounds elucidated by McMD-based dynamic docking simulations.
    Bekker GJ; Fukuda I; Higo J; Fukunishi Y; Kamiya N
    Sci Rep; 2021 Mar; 11(1):5046. PubMed ID: 33658550
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Computational analysis on the binding of epitope peptide to human leukocyte antigen class I molecule A*2402 subtype.
    Mahmood MD; Matsuo Y; Neya S; Hoshino T
    Chem Pharm Bull (Tokyo); 2011; 59(10):1254-62. PubMed ID: 21963635
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Advancing the field of computational drug design using multicanonical molecular dynamics-based dynamic docking.
    Bekker GJ; Kamiya N
    Biophys Rev; 2022 Dec; 14(6):1349-1358. PubMed ID: 36659995
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Dynamic Docking of a Medium-Sized Molecule to Its Receptor by Multicanonical MD Simulations.
    Bekker GJ; Araki M; Oshima K; Okuno Y; Kamiya N
    J Phys Chem B; 2019 Mar; 123(11):2479-2490. PubMed ID: 30808168
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Molecular Dynamics Simulation Reveals the Selective Binding of Human Leukocyte Antigen Alleles Associated with Behçet's Disease.
    Kongkaew S; Yotmanee P; Rungrotmongkol T; Kaiyawet N; Meeprasert A; Kaburaki T; Noguchi H; Takeuchi F; Kungwan N; Hannongbua S
    PLoS One; 2015; 10(9):e0135575. PubMed ID: 26331842
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Changes at the floor of the peptide-binding groove induce a strong preference for proline at position 3 of the bound peptide: molecular dynamics simulations of HLA-A*0217.
    Toh H; Savoie CJ; Kamikawaji N; Muta S; Sasazuki T; Kuhara S
    Biopolymers; 2000 Oct; 54(5):318-27. PubMed ID: 10935972
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Computational characterization of residue couplings and micropolymorphism-induced changes in the dynamics of two differentially disease-associated human MHC class-I alleles.
    Serçinoğlu O; Ozbek P
    J Biomol Struct Dyn; 2018 Feb; 36(3):724-740. PubMed ID: 28278760
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Evaluation of potential MHC-I allele-specific epitopes in Zika virus proteins and the effects of mutations on peptide-MHC-I interaction studied using in silico approaches.
    da Costa AS; Fernandes TVA; Bello ML; de Souza TLF
    Comput Biol Chem; 2021 Jun; 92():107459. PubMed ID: 33636637
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Structures of native and affinity-enhanced WT1 epitopes bound to HLA-A*0201: implications for WT1-based cancer therapeutics.
    Borbulevych OY; Do P; Baker BM
    Mol Immunol; 2010 Sep; 47(15):2519-24. PubMed ID: 20619457
    [TBL] [Abstract][Full Text] [Related]  

  • 13. A conserved energetic footprint underpins recognition of human leukocyte antigen-E by two distinct αβ T cell receptors.
    Sullivan LC; Walpole NG; Farenc C; Pietra G; Sum MJW; Clements CS; Lee EJ; Beddoe T; Falco M; Mingari MC; Moretta L; Gras S; Rossjohn J; Brooks AG
    J Biol Chem; 2017 Dec; 292(51):21149-21158. PubMed ID: 28972140
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Flexibility of the MHC class II peptide binding cleft in the bound, partially filled, and empty states: a molecular dynamics simulation study.
    Yaneva R; Springer S; Zacharias M
    Biopolymers; 2009 Jan; 91(1):14-27. PubMed ID: 18767126
    [TBL] [Abstract][Full Text] [Related]  

  • 15. A docking model of dapsone bound to HLA-B*13:01 explains the risk of dapsone hypersensitivity syndrome.
    Watanabe H; Watanabe Y; Tashiro Y; Mushiroda T; Ozeki T; Hashizume H; Sueki H; Yamamoto T; Utsunomiya-Tate N; Gouda H; Kusakabe Y
    J Dermatol Sci; 2017 Dec; 88(3):320-329. PubMed ID: 28870516
    [TBL] [Abstract][Full Text] [Related]  

  • 16. The HLA A03 Supertype and Several
    de Groot NG; Heijmans CMC; de Ru AH; Otting N; Koning F; van Veelen PA; Bontrop RE
    J Virol; 2020 Apr; 94(9):. PubMed ID: 32075930
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Coupling between side chain interactions and binding pocket flexibility in HLA-B*44:02 molecules investigated by molecular dynamics simulations.
    Ostermeir K; Springer S; Zacharias M
    Mol Immunol; 2015 Feb; 63(2):312-9. PubMed ID: 25146482
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Unraveling the Allosteric Communication Mechanisms in T-Cell Receptor-Peptide-Loaded Major Histocompatibility Complex Dynamics Using Molecular Dynamics Simulations: An Approach Based on Dynamic Cross Correlation Maps and Residue Interaction Energy Calculations.
    Bingöl EN; Serçinoğlu O; Ozbek P
    J Chem Inf Model; 2021 May; 61(5):2444-2453. PubMed ID: 33930270
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Accurate Binding Configuration Prediction of a G-Protein-Coupled Receptor to Its Antagonist Using Multicanonical Molecular Dynamics-Based Dynamic Docking.
    Bekker GJ; Araki M; Oshima K; Okuno Y; Kamiya N
    J Chem Inf Model; 2021 Oct; 61(10):5161-5171. PubMed ID: 34549581
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Molecular modeling of an antigenic complex between a viral peptide and a class I major histocompatibility glycoprotein.
    Rognan D; Reddehase MJ; Koszinowski UH; Folkers G
    Proteins; 1992 May; 13(1):70-85. PubMed ID: 1594579
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.