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algorithm python » algorithm within (Expand Search), algorithms within (Expand Search), algorithm both (Expand Search)
python function » protein function (Expand Search)
algorithm side » algorithm using (Expand Search), algorithm model (Expand Search), algorithm used (Expand Search)
side functions » sine function (Expand Search), kidney functions (Expand Search), wide functional (Expand Search)
algorithm l » algorithm cl (Expand Search), algorithm _ (Expand Search), algorithm b (Expand Search)
l function » _ function (Expand Search), a function (Expand Search), 1 function (Expand Search)
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Open Binding Pose Metadynamics: An Effective Approach for the Ranking of Protein–Ligand Binding Poses
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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Open Binding Pose Metadynamics: An Effective Approach for the Ranking of Protein–Ligand Binding Poses
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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Open Binding Pose Metadynamics: An Effective Approach for the Ranking of Protein–Ligand Binding Poses
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.
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.
Published 2022“…<p>TEAPS is an algorithm to search global parameter space satisfying BSR by iterating modified global cluster Newton method (CNM). …”