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 *

142 related articles for article (PubMed ID: 36449380)

  • 1. Protein Structure Validation Derives a Smart Conformational Search in a Physically Relevant Configurational Subspace.
    Yasuda T; Morita R; Shigeta Y; Harada R
    J Chem Inf Model; 2022 Dec; 62(23):6217-6227. PubMed ID: 36449380
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Structural Validation by the
    Yasuda T; Morita R; Shigeta Y; Harada R
    J Chem Inf Model; 2022 Jul; 62(14):3442-3452. PubMed ID: 35786886
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Selection Rules for Outliers in Outlier Flooding Method Regulate Its Conformational Sampling Efficiency.
    Harada R; Shigeta Y
    J Chem Inf Model; 2019 Sep; 59(9):3919-3926. PubMed ID: 31424213
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Sparsity-weighted outlier FLOODing (OFLOOD) method: Efficient rare event sampling method using sparsity of distribution.
    Harada R; Nakamura T; Shigeta Y
    J Comput Chem; 2016 Mar; 37(8):724-38. PubMed ID: 26611770
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Protein folding pathways extracted by OFLOOD: Outlier FLOODing method.
    Harada R; Nakamura T; Takano Y; Shigeta Y
    J Comput Chem; 2015 Jan; 36(2):97-102. PubMed ID: 25363340
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Free-Energy Profiles for Membrane Permeation of Compounds Calculated Using Rare-Event Sampling Methods.
    Harada R; Morita R; Shigeta Y
    J Chem Inf Model; 2023 Jan; 63(1):259-269. PubMed ID: 36574612
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Temperature-pressure shuffling outlier flooding method enhances the conformational sampling of proteins.
    Harada R; Yoshino R; Nishizawa H; Shigeta Y
    J Comput Chem; 2019 Jun; 40(15):1530-1537. PubMed ID: 30816578
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Simple, yet powerful methodologies for conformational sampling of proteins.
    Harada R; Takano Y; Baba T; Shigeta Y
    Phys Chem Chem Phys; 2015 Mar; 17(9):6155-73. PubMed ID: 25659594
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Nontargeted Parallel Cascade Selection Molecular Dynamics Based on a Nonredundant Selection Rule for Initial Structures Enhances Conformational Sampling of Proteins.
    Harada R; Sladek V; Shigeta Y
    J Chem Inf Model; 2019 Dec; 59(12):5198-5206. PubMed ID: 31697897
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Ball-and-Stick Local Elevation Umbrella Sampling: Molecular Simulations Involving Enhanced Sampling within Conformational or Alchemical Subspaces of Low Internal Dimensionalities, Minimal Irrelevant Volumes, and Problem-Adapted Geometries.
    Hansen HS; Hünenberger PH
    J Chem Theory Comput; 2010 Sep; 6(9):2622-46. PubMed ID: 26616065
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Efficient Conformational Search Based on Structural Dissimilarity Sampling: Applications for Reproducing Structural Transitions of Proteins.
    Harada R; Shigeta Y
    J Chem Theory Comput; 2017 Mar; 13(3):1411-1423. PubMed ID: 28170260
    [TBL] [Abstract][Full Text] [Related]  

  • 12. [Development of Membrane Permeability Coefficient by Means of Novel Molecular Dynamics Methods].
    Harada R; Mitsuta Y; Shigeta Y
    Yakugaku Zasshi; 2024; 144(5):545-551. PubMed ID: 38692931
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Independent Nontargeted Parallel Cascade Selection Molecular Dynamics (Ino-PaCS-MD) to Enhance the Conformational Sampling of Proteins.
    Yasuda T; Morita R; Shigeta Y; Harada R
    J Chem Theory Comput; 2021 Sep; 17(9):5933-5943. PubMed ID: 34410106
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Enhanced conformational sampling method for proteins based on the TaBoo SeArch algorithm: application to the folding of a mini-protein, chignolin.
    Harada R; Takano Y; Shigeta Y
    J Comput Chem; 2015 Apr; 36(10):763-72. PubMed ID: 25691321
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Hybrid Cascade-Type Molecular Dynamics with a Markov State Model for Efficient Free Energy Calculations.
    Harada R; Shigeta Y
    J Chem Theory Comput; 2019 Jan; 15(1):680-687. PubMed ID: 30468705
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Selection rules on initial structures in parallel cascade selection molecular dynamics affect conformational sampling efficiency.
    Harada R; Shigeta Y
    J Mol Graph Model; 2018 Oct; 85():153-159. PubMed ID: 30205290
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Self-Avoiding Conformational Sampling Based on Histories of Past Conformational Searches.
    Harada R; Shigeta Y
    J Chem Inf Model; 2017 Dec; 57(12):3070-3078. PubMed ID: 29111731
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Edge expansion parallel cascade selection molecular dynamics simulation for investigating large-amplitude collective motions of proteins.
    Takaba K; Tran DP; Kitao A
    J Chem Phys; 2020 Jun; 152(22):225101. PubMed ID: 32534517
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Enhanced Conformational Sampling Method Based on Anomaly Detection Parallel Cascade Selection Molecular Dynamics: ad-PaCS-MD.
    Harada R; Yamaguchi K; Shigeta Y
    J Chem Theory Comput; 2020 Oct; 16(10):6716-6725. PubMed ID: 32926622
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Nontargeted Parallel Cascade Selection Molecular Dynamics Using Time-Localized Prediction of Conformational Transitions in Protein Dynamics.
    Harada R; Sladek V; Shigeta Y
    J Chem Theory Comput; 2019 Sep; 15(9):5144-5153. PubMed ID: 31411882
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.