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covalent-ligand

Here are 3 public repositories matching this topic...

KiwiMS

infinity-a11y / KiwiMS

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

Updated Apr 24, 2026
R

ClinuxMDL / CavityPlus

CavityPlus

binding-cavity-detection pharmacophore-modelling allosteric-site covalent-ligand

Updated Apr 24, 2018

Jon-Ting / molecular-modelling-of-reversible-covalent-inhibition-of-brutons-tyrosine-kinase-by-cyanoacrylamides

⚡ 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

Updated Sep 13, 2023
Python

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