Real structures
Every target is an experimental structure from the RCSB Protein Data Bank, with its PDB id, method, resolution and reference ligand shown on the card. Nothing is drawn by hand.
Pons Lab CADD · Robinhood Chain
Computer-aided drug design, scored on chain.
Pick a cancer target from the Protein Data Bank. Pick a bioactive plant compound. Dock it in your browser. Robinhood Chain re-checks the pose, re-scores it and keeps the record. The best binders feed a live cancer research report.
In the viewer: a structure from the Protein Data Bank
Targets
Ligands
Docking tests
Reviews
ETH
In prize pools
Why Ponchem
Three things you can trust
A scorer you can audit
The score is an integer implementation of a Vina-style empirical function. It runs inside the contract. After you record a run, the number on the site is the chain's number.
Every docking test is paid, scored and reviewed
A docking test costs 100 $PONCHEM or 0.0001 ETH, paid to the lab treasury. The contract proves the geometry, scores the pose and keeps the record. Anyone can review a test on chain, with stars and a note.
How it works
Four steps, one record
- 01
Choose
Pick a target and a plant compound, or screen one against many.
- 02
Dock
A seeded pose search runs in your browser. Ten seconds to ninety, your choice.
- 03
Test
Connect a wallet and pay the test, 100 $PONCHEM or 0.0001 ETH. The contract checks the geometry, re-scores the pose and stores it.
- 04
Review and settle
Other wallets review the test. When the epoch ends, anyone can settle: the best score takes the sponsored pool. The report updates.
The science
What the number means
Binding free energy, written dG, is the energy released when a compound settles into a pocket. More negative is better. Ponchem estimates it with an empirical scoring function of the AutoDock Vina family: five terms over heavy atom pairs, weighted with the values Trott and Olson fitted on about 1,300 PDBbind complexes in 2010. Our engine is an independent implementation of that function, written in integers so a contract can run it. It is not AutoDock Vina.
From dG we estimate potency: pKd, and Kd from dG = RT ln Kd at 298.15 K. We also show ligand efficiency, the energy per heavy atom, because a small molecule with a fair score is often a better lead than a large one with a great score.
These are computational estimates. They rank candidates for further study. They do not say a compound works in a cell, an animal or a person.
Score bands
strongdG at or below -9 kcal/mol
moderatebetween -9 and -6
weakabove -6
no bindingzero or positive
Display bands only. The chain records the exact value in milli kcal/mol.
Five terms
| gauss 1 | -0.0356 |
| gauss 2 | -0.00516 |
| repulsion | 0.840 |
| hydrophobic | -0.0351 |
| hydrogen bond | -0.587 |
Divided by 1 + 0.0585 x rotatable bonds.
On chain
What the contract checks before it believes a pose
Then it recomputes the score with the same integer function and stores the run. Events carry the whole pose, so this site rebuilds everything from logs. No database of ours sits between you and the record.
- The pose contains exactly the ligand's heavy atoms, in topology order.
- Every bonded pair sits at its ideal distance, within tolerance. Every 1-3 pair too.
- Atoms three or more bonds apart stay above the clash floor.
- Every atom lies inside the target's box, whose pocket bytes are hashed and registered.
Featured targets
Targets people are docking this week
$PONCHEM
The lab token launches on ponsfamily.com
Ponchem is an honorable project of ponsfamily.com, and $PONCHEM launches there. Until then the buy link is inert and no contract address is published here. When the token is live this card shows the buy link and Copy CA.
Every docking test costs 100 $PONCHEM or 0.0001 ETH, paid to the lab treasury. The payer chooses. While $PONCHEM is not launched only the ETH option works, and the token option in the lab reads after the $PONCHEM launch.
Buy $PONCHEM
CA posts here at launch
Dock something today.
Every recorded run adds to a cancer research report anyone can read and check.