Showing 121 - 140 results of 591 for search '(((( algorithms mc function ) OR ( algorithm spc function ))) OR ( algorithm python function ))', query time: 0.27s Refine Results
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    Generation of Quantum Configurational Ensembles Using Approximate Potentials by João Morado (10345050)

    Published 2021
    “…The accuracy of these MM-based schemes strongly depends on the functional form of the force field (FF) and its parametrization, components that often hinder their performance. …”
  9. 129

    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. …”
  10. 130

    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. …”
  11. 131

    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. …”
  12. 132

    DataSheet1_Multi_Scale_Tools: A Python Library to Exploit Multi-Scale Whole Slide Images.PDF by Niccolò Marini (11247936)

    Published 2021
    “…<p>Algorithms proposed in computational pathology can allow to automatically analyze digitized tissue samples of histopathological images to help diagnosing diseases. …”
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    PathogenProteinFunctionalPredictionPSB2020 Poster by Jason McDermott (413669)

    Published 2020
    “…Prediction of protein function from sequence is possible because of evolutionary relationships between proteins with similar functions, and existing algorithms can identify the corresponding sequence similarity. …”
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    Contrast enhancement of digital images using dragonfly algorithm by Soumyajit Saha (19726163)

    Published 2024
    “…Comparisons with state-of-art methods ensure the superiority of the proposed algorithm. The Python implementation of the proposed approach is available in this <a href="https://github.com/somnath796/DA_contrast_enhancement" target="_blank">Github repository</a>.…”
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