/ Product · FoldRx Pipeline
From sequence to drug candidate.
FoldRx is an automated 8-stage drug discovery pipeline. Paste your protein sequence and receive ranked small-molecule candidates — with ADMET profiles and selectivity scores — directly in your browser. No HPC cluster, no pipeline configuration.
Powered by ESMFold · Fpocket · AutoDock Vina · RDKit · pkCSM
Pipeline stages
Sequence input
Paste a raw amino acid sequence or load it from your open sequence file. The pipeline accepts FASTA, UniProt IDs, or PDB identifiers.
Protein folding
Structures are predicted using ESMFold on GPU, delivering a pLDDT-scored 3D model in seconds. High-confidence predictions (pLDDT > 0.85) proceed automatically.
Pocket detection
Fpocket identifies druggable binding cavities on the folded structure, ranked by druggability score and volume.
Ligand docking
AutoDock Vina docks a library of small molecules into each detected pocket. Results include binding affinity (kcal/mol) and pose visualisation.
ADMET screening
All compounds are filtered against Lipinski Ro5, PAINS alerts, and simulated ADMET properties (absorption, distribution, metabolism, excretion, toxicity).
FEP scoring
Free energy perturbation scoring further discriminates top candidates, providing relative binding free energy estimates to prioritise leads.
Selectivity profiling
Off-target docking against a panel of common anti-targets helps flag compounds with poor selectivity before wet-lab testing.
Candidate ranking
A weighted composite score combining docking, ADMET, FEP, and selectivity ranks all candidates. Export the shortlist as CSV for your medicinal chemistry team.
Structure confidence
pLDDT 0.88
ESMFold on GPU · ~2s
ADMET pass rate
10 / 15
Lipinski Ro5 + PAINS filter
Top docking score
−8.0 kcal/mol
AutoDock Vina ranking
ADMET and selectivity scores are simulated. Real pkCSM and PocketMiner integration is planned. All results are for research purposes only and do not constitute medical advice.
Start your first drug discovery run.
Free to use. No HPC or cloud credits needed.