Showing 881 - 900 results of 2,594 for search '(( algorithm from function ) OR ((( algorithm python function ) OR ( algorithm beach function ))))', query time: 0.47s Refine Results
  1. 881
  2. 882
  3. 883
  4. 884
  5. 885

    Supplemental Tables S1 and S2 for Combining structural modeling and deep learning to calculate the E. coli protein interactome and functional networks by Diana Murray (16859046)

    Published 2025
    “…Biological insights derived from the subnetworks, including the annotation of proteins of unknown function, are discussed in detail. …”
  6. 886
  7. 887

    Constructing Accurate Potential Energy Surfaces with Limited High-Level Data Using Atom-Centered Potentials and Density Functional Theory by Mahsa Nazemi-Ashani (21876936)

    Published 2025
    “…The effectiveness of the algorithm is demonstrated through its application to the HFCO and uracil molecules. …”
  8. 888

    DFT-Based Calculation of the Vibrational Sum Frequency Generation Spectrum of Noncentrosymmetric Domains Interspersed in an Amorphous Matrix by Juseok Choi (13516495)

    Published 2025
    “…The same principle can also be utilized for selective detection of crystalline domains of biopolymers interspersed inside amorphous bulk phases of natural materials, but quantitative interpretation of SFG spectral features of such systems has been challenging due to the difficulty of how the spectral features can vary as a function of various structural parameters. Here, we present a theoretical simulation-based approach utilizing polarizability and dipole derivative tensors obtained from density functional theory (DFT), circumventing the difficulty and limitation of assuming the local symmetry of specific vibrational modes. …”
  9. 889

    DFT-Based Calculation of the Vibrational Sum Frequency Generation Spectrum of Noncentrosymmetric Domains Interspersed in an Amorphous Matrix by Juseok Choi (13516495)

    Published 2025
    “…The same principle can also be utilized for selective detection of crystalline domains of biopolymers interspersed inside amorphous bulk phases of natural materials, but quantitative interpretation of SFG spectral features of such systems has been challenging due to the difficulty of how the spectral features can vary as a function of various structural parameters. Here, we present a theoretical simulation-based approach utilizing polarizability and dipole derivative tensors obtained from density functional theory (DFT), circumventing the difficulty and limitation of assuming the local symmetry of specific vibrational modes. …”
  10. 890

    DFT-Based Calculation of the Vibrational Sum Frequency Generation Spectrum of Noncentrosymmetric Domains Interspersed in an Amorphous Matrix by Juseok Choi (13516495)

    Published 2025
    “…The same principle can also be utilized for selective detection of crystalline domains of biopolymers interspersed inside amorphous bulk phases of natural materials, but quantitative interpretation of SFG spectral features of such systems has been challenging due to the difficulty of how the spectral features can vary as a function of various structural parameters. Here, we present a theoretical simulation-based approach utilizing polarizability and dipole derivative tensors obtained from density functional theory (DFT), circumventing the difficulty and limitation of assuming the local symmetry of specific vibrational modes. …”
  11. 891

    DFT-Based Calculation of the Vibrational Sum Frequency Generation Spectrum of Noncentrosymmetric Domains Interspersed in an Amorphous Matrix by Juseok Choi (13516495)

    Published 2025
    “…The same principle can also be utilized for selective detection of crystalline domains of biopolymers interspersed inside amorphous bulk phases of natural materials, but quantitative interpretation of SFG spectral features of such systems has been challenging due to the difficulty of how the spectral features can vary as a function of various structural parameters. Here, we present a theoretical simulation-based approach utilizing polarizability and dipole derivative tensors obtained from density functional theory (DFT), circumventing the difficulty and limitation of assuming the local symmetry of specific vibrational modes. …”
  12. 892

    DFT-Based Calculation of the Vibrational Sum Frequency Generation Spectrum of Noncentrosymmetric Domains Interspersed in an Amorphous Matrix by Juseok Choi (13516495)

    Published 2025
    “…The same principle can also be utilized for selective detection of crystalline domains of biopolymers interspersed inside amorphous bulk phases of natural materials, but quantitative interpretation of SFG spectral features of such systems has been challenging due to the difficulty of how the spectral features can vary as a function of various structural parameters. Here, we present a theoretical simulation-based approach utilizing polarizability and dipole derivative tensors obtained from density functional theory (DFT), circumventing the difficulty and limitation of assuming the local symmetry of specific vibrational modes. …”
  13. 893

    DFT-Based Calculation of the Vibrational Sum Frequency Generation Spectrum of Noncentrosymmetric Domains Interspersed in an Amorphous Matrix by Juseok Choi (13516495)

    Published 2025
    “…The same principle can also be utilized for selective detection of crystalline domains of biopolymers interspersed inside amorphous bulk phases of natural materials, but quantitative interpretation of SFG spectral features of such systems has been challenging due to the difficulty of how the spectral features can vary as a function of various structural parameters. Here, we present a theoretical simulation-based approach utilizing polarizability and dipole derivative tensors obtained from density functional theory (DFT), circumventing the difficulty and limitation of assuming the local symmetry of specific vibrational modes. …”
  14. 894

    Causal Relationship between Potential Shift and Molecular Structure in Concentrated Electrolytes by Yumika Yokoyama (18422218)

    Published 2025
    “…In this study, we revisit this issue from the perspective of causal discovery. We applied the Linear Non-Gaussian Acyclic Model (LiNGAM) to a data set of 75 electrolyte solutions containing LiFSI salt and various solvent molecules, using a comprehensive set of 132 descriptors including molecular properties (e.g., HOMO, LUMO, binding energy) and intermolecular descriptors derived from radial distribution functions (RDF) and their integrals (NDF) from molecular dynamics simulations. …”
  15. 895

    RT-Sort parameters. by Tjitse van der Molen (20391106)

    Published 2024
    “…<div><p>With the use of high-density multi-electrode recording devices, electrophysiological signals resulting from action potentials of individual neurons can now be reliably detected on multiple adjacent recording electrodes. …”
  16. 896

    Table 2_Functional and clinical validation of tsRNA-defined molecular subtypes guides precision therapy in gastric cancer.xlsx by Ye Tian (220278)

    Published 2025
    “…A prognostic model was constructed using machine learning algorithms and validated across multiple cohorts. The functional role of a key tsRNA, tsRNA-Asp-3-0024, was investigated through Pandora-seq, qRT-PCR, and in vitro and organoid-based assays.…”
  17. 897

    Image 3_Functional and clinical validation of tsRNA-defined molecular subtypes guides precision therapy in gastric cancer.tif by Ye Tian (220278)

    Published 2025
    “…A prognostic model was constructed using machine learning algorithms and validated across multiple cohorts. The functional role of a key tsRNA, tsRNA-Asp-3-0024, was investigated through Pandora-seq, qRT-PCR, and in vitro and organoid-based assays.…”
  18. 898

    Table 4_Functional and clinical validation of tsRNA-defined molecular subtypes guides precision therapy in gastric cancer.xlsx by Ye Tian (220278)

    Published 2025
    “…A prognostic model was constructed using machine learning algorithms and validated across multiple cohorts. The functional role of a key tsRNA, tsRNA-Asp-3-0024, was investigated through Pandora-seq, qRT-PCR, and in vitro and organoid-based assays.…”
  19. 899

    Table 1_Functional and clinical validation of tsRNA-defined molecular subtypes guides precision therapy in gastric cancer.xlsx by Ye Tian (220278)

    Published 2025
    “…A prognostic model was constructed using machine learning algorithms and validated across multiple cohorts. The functional role of a key tsRNA, tsRNA-Asp-3-0024, was investigated through Pandora-seq, qRT-PCR, and in vitro and organoid-based assays.…”
  20. 900

    Image 4_Functional and clinical validation of tsRNA-defined molecular subtypes guides precision therapy in gastric cancer.tif by Ye Tian (220278)

    Published 2025
    “…A prognostic model was constructed using machine learning algorithms and validated across multiple cohorts. The functional role of a key tsRNA, tsRNA-Asp-3-0024, was investigated through Pandora-seq, qRT-PCR, and in vitro and organoid-based assays.…”