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algorithm sphere » algorithm where (Expand Search), algorithm pre (Expand Search), algorithm shows (Expand Search)
algorithm python » algorithm within (Expand Search), algorithms within (Expand Search), algorithm both (Expand Search)
sphere function » severe functional (Expand Search), reserve function (Expand Search)
python function » protein function (Expand Search)
algorithm iqa » algorithm a (Expand Search), algorithm i (Expand Search), algorithm pca (Expand Search)
iqa function » a function (Expand Search), i function (Expand Search), its function (Expand Search)
algorithm sphere » algorithm where (Expand Search), algorithm pre (Expand Search), algorithm shows (Expand Search)
algorithm python » algorithm within (Expand Search), algorithms within (Expand Search), algorithm both (Expand Search)
sphere function » severe functional (Expand Search), reserve function (Expand Search)
python function » protein function (Expand Search)
algorithm iqa » algorithm a (Expand Search), algorithm i (Expand Search), algorithm pca (Expand Search)
iqa function » a function (Expand Search), i function (Expand Search), its function (Expand Search)
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Revisiting the “satisfaction of spatial restraints” approach of MODELLER for protein homology modeling
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.
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
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. …”