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algorithm protein » algorithm within (Expand Search), algorithm pre (Expand Search)
algorithm python » algorithm within (Expand Search), algorithms within (Expand Search), algorithm both (Expand Search)
algorithm b » algorithm _ (Expand Search), algorithms _ (Expand Search)
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Python-Based Algorithm for Estimating NRTL Model Parameters with UNIFAC Model Simulation Results
Published 2025“…This algorithm conducts a series of procedures: (1) fragmentation of the molecules into functional groups from SMILES, (2) calculation of activity coefficients under predetermined temperature and mole fraction conditions by employing universal quasi-chemical functional group activity coefficient (UNIFAC) model, and (3) regression of NRTL model parameters by employing UNIFAC model simulation results in the differential evolution algorithm (DEA) and Nelder–Mead method (NMM). …”
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Pseudocode of the RPath algorithm.
Published 2022“…For each path found, drug-perturbed (i.e., drug_tr) and disease-specific (disease_tr) transcriptomic signatures are overlaid onto their corresponding protein nodes. The function then prioritizes the drug if at least one path is concordant with the observed drug-perturbed transcriptomic signatures (evaluated via <b>Function 1</b>, <i>is_concordant</i>) and the same path is anti-correlated with the observed disease-specific transcriptomic signatures (evaluated via <b>Function 2</b>, <i>is_anti_correlated</i>). …”
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Core genes were selected through PPI analysis based on three algorithms.
Published 2024“…<b>(B)</b> The priority of the top 10 genes was evaluated through MNC, which identifies clusters of protein nodes that are more functionally connected to each other and selects the central proteins within the cluster. …”
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(a) Radar chart of these algorithms (23 Benchmark functions), (b) The sorting diagram of these algorithms (23 Benchmark functions).
Published 2025“…<p>(a) Radar chart of these algorithms (23 Benchmark functions), (b) The sorting diagram of these algorithms (23 Benchmark functions).…”
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A detailed process of iterative simulation coupled with bone density algorithm; (a) a function of stimulus and related bone density changes, and (b) iterative calculations of finite element analysis coupled with user’s subroutine for changes in bone density.
Published 2025“…<p>A detailed process of iterative simulation coupled with bone density algorithm; (a) a function of stimulus and related bone density changes, and (b) iterative calculations of finite element analysis coupled with user’s subroutine for changes in bone density.…”
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Discovery of Protein Modifications Using Differential Tandem Mass Spectrometry Proteomics
Published 2021“…Termed SAMPEI for spectral alignment-based modified peptide identification, this open-source algorithm is designed for the discovery of functional protein and peptide signaling modifications, without prior knowledge of their identities. …”
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Discovery of Protein Modifications Using Differential Tandem Mass Spectrometry Proteomics
Published 2021“…Termed SAMPEI for spectral alignment-based modified peptide identification, this open-source algorithm is designed for the discovery of functional protein and peptide signaling modifications, without prior knowledge of their identities. …”
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Results of the application of different clustering algorithms to average functional connectivity from healthy subjects.
Published 2023“…Inertia was calculated using the scikit learn module in Python. B) Resulting cluster distance from hierarchical clustering to averaged functional connectivity from healthy subjects, with different numbers of clusters. …”
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Revisiting the “satisfaction of spatial restraints” approach of MODELLER for protein homology modeling
Published 2019“…<div><p>The most frequently used approach for protein structure prediction is currently homology modeling. …”
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