DrugPipe: Generative artificial intelligence-assisted virtual screening pipeline for generalizable and efficient drug repurposing
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Jun 9, 2025 - Python
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protein-binding
Here are 7 public repositories matching this topic...
cDeepbind: A context sensitive deep learning model of RNA-protein binding
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Dec 6, 2019 - Python
Data analysis workflow for proteomics mass spectrometry featuring bayesian deconvolution and various downstream analyses.
drug-discovery proteomics mass-spectrometry lc-ms deconvolution ms protein-binding covalent-ligand binding-affinity covalent-drug
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May 1, 2026 - R
This repository provides a comprehensive module on structural biology and drug discovery, covering protein structure, docking, and drug design. It runs on Google Cloud Platform using Jupyter notebooks and includes tools like PyMOL and AutoDock.
machine-learning random-forest structural-biology protein-data-bank protein-structure gcp molecular-dynamics computational-biology biochemistry pymol drug-discovery logistic-regression uniprot multi-layer-perceptron protein-binding molecular-visualization sars-cov-2 ligand-preparation
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Aug 21, 2025 - HTML
Predicting tissue distribution of highly lipophilic compounds
distribution pharmacokinetics disposition pbpk animal-alternative adme volume-of-distribution protein-binding unbound-fraction first-time-in-human
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Dec 15, 2017 - C#
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Jun 6, 2025 - Python
Filtre conteúdo tóxico em português brasileiro com uma biblioteca leve, rápida e sem dependências que utiliza detecção por contexto e proteção anti-bypass.
bioinformatics toxicology computational-biology public-health data-processing molecular-biology biological-data drug-safety sequence-analysis protein-binding research-tools chemical-informatics chemical-safety lab-informatics toxin-analysis
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May 2, 2026 - TypeScript
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