Docking Assistant: PDB & PubChem to MolecularDocking

Open a protein (PDB) or compound (PubChem) directly in the free MolecularDocking.online workspace.

Streamline your computational chemistry and bioinformatics workflow! The "1-Click Docking" extension bridges the gap between major structural databases and real-time computational workspaces. Instead of manually downloading .pdb or .sdf files and configuring complex local environments, this extension embeds a seamless action button directly into RCSB PDB and PubChem pages. One click sends your target receptor or ligand straight to your workspace at MolecularDocking.online. 🚀 Key Features: • Seamless PDB Integration: Adds a "Run Docking" button to RCSB PDB structure pages. Automatically fetches the PDB ID and loads the 3D receptor into your docking workspace. • Instant PubChem Transfer: Embeds a shortcut on PubChem compound pages to instantly export the 3D SDF ligand directly to the online docking platform. • Zero Setup Required: Say goodbye to command-line installations, Cygwin, or local AutoDock Tools configurations. Everything runs in your browser. • 100% Free & Fast: Powered by MolecularDocking.online, bringing accessible AutoDock Vina calculations to students, educators, and researchers. 💡 How to Use: Pin the extension to your browser toolbar. Visit any structure page on RCSB PDB (e.g., rcsb.org/structure/1STP) or a compound on PubChem. Click the injected "Run Docking on MolecularDocking.online" button. A new tab will open with the molecules pre-loaded and ready for binding affinity calculations. 🔒 Privacy First: This extension is strictly a bridge. It does not track your browsing history, collect personal data, or require an account. It only activates on matching PDB and PubChem URLs. Target Audience: Bioinformatics students, computational chemists, and biology researchers. Powered by: https://moleculardocking.online