Docko

Docko is a pocket bench 🧪 for structure-based drug design. Twist a gilded ligand 🧬 into a protein's binding site, watch the score keep its ledger 📊 in the margins, and keep working until the whole window lights green 🟢 and locks valid. THE POCKET BENCH 🔬 Every target opens as an illuminated rose window 🌹 — the binding site drawn in lapis and gold ✨, the ligand riding at the centre as a gilded initial. Spin it, tilt it, nudge it across the cavity, then flex it bond by bond: take hold of a tip and wrench a single rotatable torsion through its arc. The scoring function re-scores every frame 📊 and keeps its tally in the margins: binding energy against par, steric-clash lamps 🔴 guttering red, satisfied hydrogen-bond donors and acceptors, hydrophobic contacts seating like tesserae. You feel it before you read it 👀. A good nudge gilds a flourish ✨; a bad one leaves the illumination flat. And a score that has stalled is usually a local minimum — so worsen the pose deliberately, climb out of the valley, and beat your own best 🏆. EIGHTY TARGETS 🎯 A catalogue of eighty binding sites drawn from real structural biology — proteases, kinases, receptors, reductases — each with its family, its catalytic mechanism, the shape of its pocket and a known ligand. Twenty carry full depth entries with cross-references and a procedural pocket diagram. Mark favourites ⭐; load any of them straight onto the bench. EIGHT DOSSIERS 📚 Long-form case studies from the canon of rational drug design: HIV-1 protease and saquinavir, neuraminidase and oseltamivir, BCR-ABL and imatinib, ACE and captopril, carbonic anhydrase II and dorzolamide, HMG-CoA reductase and the statins, thrombin and dabigatran, COX-2 and celecoxib. Each cross-references the catalogue, and your reading progress is kept 📖. TEN SEALS 🏅 Bespoke wax-and-gold seals 🕯️ with conditions worth earning. Lock a pose with every clash lamp dark. Thread a deep hydrophobic pocket to full contact. Satisfy three hydrogen bonds at once. Escape a scoring local minimum. Wrench a hundred torsions. Read every dossier to its close. THE VAULT 🗄️ Every pose you seat and commit is kept with its score, its clash count and its H-bond tally. Render a pose as an illuminated card 🖼️ and save it to your photos, or attach your own reference photograph to a saved pose for your notes. THREE ILLUMINATIONS 🎨 Vellum, Nocturne and Porphyry — three full palettes that retint the whole manuscript, live. WORKS ENTIRELY OFFLINE 📱 No account. No sign-in. No ads. No purchases. Nothing you do leaves your device 🔒: targets, dossiers, poses, seals and settings all live in a local database on your phone. Docko is an educational simulation 🎓. Its scoring function is a teaching model, not a research-grade docking engine, and nothing in the app is medical advice or guidance on the use of any medicine.