Showing 121 - 140 results of 595 for search '(( algorithm pca function ) OR ((( algorithm api function ) OR ( algorithm python function ))))', query time: 0.52s Refine Results
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    Revisiting the “satisfaction of spatial restraints” approach of MODELLER for protein homology modeling by Giacomo Janson (8138517)

    Published 2019
    “…This program implements the “modeling by satisfaction of spatial restraints” strategy and its core algorithm has not been altered significantly since the early 1990s. …”
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    Python code, input data, and outputs of Fourier analysis and Dynamic Time Warping from McGlasson et al. by Riley McGlasson (13876874)

    Published 2024
    “…</p> <h4><strong>Python Function Files:</strong></h4> <p>radarfuncs.py: Holds three functions used for FFT and DTW analysis.…”
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    Open Binding Pose Metadynamics: An Effective Approach for the Ranking of Protein–Ligand Binding Poses by Dominykas Lukauskis (14143149)

    Published 2022
    “…OpenBPMD is powered by the OpenMM simulation engine and uses a revised scoring function. The algorithm was validated by testing it on a wide range of targets and showing that it matches or exceeds the performance of the original BPMD. …”
  20. 140

    Open Binding Pose Metadynamics: An Effective Approach for the Ranking of Protein–Ligand Binding Poses by Dominykas Lukauskis (14143149)

    Published 2022
    “…OpenBPMD is powered by the OpenMM simulation engine and uses a revised scoring function. The algorithm was validated by testing it on a wide range of targets and showing that it matches or exceeds the performance of the original BPMD. …”