covalent-drug

Here are 3 public repositories matching this topic...

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

drhuangwc / hSTING-ExcB-protein-ligand-docking

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hSTING-ExcB protein-ligand docking

protein-ligand-docking covalent-drug hsting-excb

Updated Jun 1, 2023
Python

StructuralGenomicsConsortium / CNP17-DENVRdrp-EnamineCovalent

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An SGC Chemical Networks Project devoted to the DENV Rdrp, focusing specifically on exploring the Enamine covalent library. Use the link below to learn about other READDI-AViDD projects.

drug-discovery high-throughput-screening medicinal-chemistry covalent-drug

Updated Dec 18, 2024

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