Showing 161 - 180 results of 2,066 for search '(((( algorithm side functions ) OR ( algorithm l function ))) OR ( algorithm python function ))', query time: 1.26s Refine Results
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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. …”
  10. 170

    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. 171

    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. …”
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    Schematic diagram of ROI extraction algorithm. by Chengrui Lin (18700392)

    Published 2024
    “…The output of this model combined Gaussian heatmap regression and direct regression and proposed a joint loss function based on JS loss and L2 loss for supervision. …”
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    Schematic diagram of the TEAPS algorithm. by Yoshiaki Kariya (13767985)

    Published 2022
    “…<p>TEAPS is an algorithm to search global parameter space satisfying BSR by iterating modified global cluster Newton method (CNM). …”