KinDEL is a large DNA-encoded library dataset containing two kinase targets (DDR1 and MAPK14) for benchmarking machine learning models.
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Oct 22, 2024 - Python
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kinase
Here are 8 public repositories matching this topic...
The Kinase Library: a Global Atlas of the Human Protein Kinome
motif phosphoproteomics phosphorylation signaling-networks kinase-activity-predictions ptm mea kinome motif-enrichment-analysis kinase pathway-enrichment-analysis kinase-enrichment-analysis cell-signaling the-kinase-library
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Dec 13, 2024 - Jupyter Notebook
A web application to track the kinase research done by the SGC.
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Mar 5, 2023 - Java
⚡ A package to automate quantum mechanical calculations and molecular dynamics simulations of drugs.
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Nov 22, 2024 - Python
⚡ A repository containing research outputs from my computational chemistry Honours project.
quantum-mechanics molecular-dynamics molecular-dynamics-simulation drug-discovery quantum-chemistry drug-design molecular-biology molecular-modeling kinase covalent-ligand kinase-inhibitors molecular-modelling covalent-drug cyanoacrylamide brutons-tyrosine-kinase
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Sep 13, 2023 - Python
Code and data for AurA simulations
structural-biology chemical-biology molecular-dynamics computational-biology elife computational-chemistry aurora biorxiv simulated-data umn biophysics mskcc kinase aurora-kinase simulation-data-analyzed
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Mar 6, 2018 - Jupyter Notebook
Kinase Similarity Assessment Pipeline For Off-Target Prediction
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Jun 23, 2022 - TeX
JACKY, a friendly tool for human kinase, phosphosites and kinase inhibitors information
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Feb 13, 2020 - Jupyter Notebook
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