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algorithm python » algorithm within (Expand Search), algorithms within (Expand Search), algorithm both (Expand Search)
algorithm decay » algorithm pca (Expand Search), algorithm design (Expand Search)
python function » protein function (Expand Search)
decay function » demand function (Expand Search), dual function (Expand Search), density function (Expand Search)
algorithm fc » algorithm etc (Expand Search), algorithm pca (Expand Search), algorithms mc (Expand Search)
fc 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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149
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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150
DataSheet1_Multi_Scale_Tools: A Python Library to Exploit Multi-Scale Whole Slide Images.PDF
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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Changes in the relative abundances of signaling functions across initial GA-LR pairs.
Published 2022“…Changes were computed from the fold change (FC) between the relative abundance in each of the 100 runs of the genetic algorithm (GA) with respect to the corresponding relative abundance in the complete list of LR pairs (<a href="http://www.ploscompbiol.org/article/info:doi/10.1371/journal.pcbi.1010715#pcbi.1010715.s002" target="_blank">S1 Table</a>), and shown as the log10(FC+1) transformation (x-axis). …”
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Contrast enhancement of digital images using dragonfly algorithm
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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S1 File -
Published 2024“…In this study, we developed a computerized algorithm using the python package (pdfplumber) and validated against clinicians’ interpretation. …”
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S1 Dataset -
Published 2024“…In this study, we developed a computerized algorithm using the python package (pdfplumber) and validated against clinicians’ interpretation. …”
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Ab Initio Quasiclassical Simulation of Femtosecond Time-Resolved Two-Dimensional Electronic Spectra of Pyrazine
Published 2021“…Nonadiabatic effects are taken into account by a trajectory surface-hopping algorithm. 2D electronic spectra were simulated with ab initio on-the-fly trajectory calculations using the ADC(2) electronic-structure method for the pyrazine molecule, which is a benchmark system for ultrafast radiationless decay through conical intersections. …”
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