Trant Team · University of Windsor
Peptide and combinatorial libraries in SMILES, ready to dock
Stop hand-assembling peptide sequences. PepComLibGen generates comprehensive combinatorial libraries - linear, cyclic, D/L, capped - as machine-readable SMILES with structured FASTA identifiers. Configure, submit, download.
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SMILES peptide library
Machine-readable output ready for docking, screening, and downstream CADD workflows.
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Structured FASTA identifiers
Every sequence tagged for traceability - cyclization type, length, and residue codes for hit tracking.
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ZIP bundle + README
Visual renderings of each unique compound and a machine-readable bundle.
SMILES fragment: CC(C)C[C@@H](NC(=O)[C@@H](N)C)C(=O)N
Built for Serious Peptide Science
Comprehensive enumeration with the specificity researchers actually need.
- Max library size (tripeptides)
- 0.0M+
- Cyclization strategies
- 0
- Practical filters
- 0
- Confidential Processing
- Published Method · J. Pharm. Anal. 2023
- Peer-Reviewed Methods
- University of Windsor
- Encrypted Delivery
- 60-Day Download Window
Hand-assembling peptide libraries is slow, error-prone, and doesn't scale
Researchers spend hours manually enumerating sequences, formatting SMILES, removing degeneracies, and packaging outputs for downstream tools. PepComLibGen automates the entire workflow - from residue selection to docking-ready files.
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Hours → Minutes
What used to take an afternoon of manual enumeration and formatting is now a single job submission.
(b)
Zero Errors
Automatic degeneracy removal, consistent naming conventions, and validated SMILES eliminate human mistakes.
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Ready to Dock
Output files slot directly into AutoDock, iGLS, and other CADD pipelines without reformatting.
How It Works
Five steps from configuration to docking-ready files.
Choose tier & configure
Select a feature tier, set peptide length (2–30), pick amino acids, apply filters, choose cyclization, and set end-caps.
Verify email & review
Quick OTP verification, review your full job summary, and acknowledge policies - no account needed.
Pay & submit
Secure Stripe payment. Your job is queued immediately and your configuration is locked.
Async processing
Watch progress in the background. Track real-time status via the status page or wait for the email.
Secure download
SMILES library + FASTA identifiers delivered as an encrypted download. Available for 60 days; your first download shortens the window to 7 days from that point.
Structured, traceable, machine-readable
Every generated peptide comes with a structured FASTA identifier encoding the cyclization type, sequences, residue count, and generation timestamp. SMILES are validated, degeneracy-free, and converted to 3D-ready libraries.
FASTA identifier
Encodes cyclization, length, date, time - no guessing what a hit came from.
Validated SMILES
Correct stereochemistry for L-uppercase and D-lowercase forms.
Degeneracy-removal
Cyclic-capable duplicates are auto-detected and removed.
>Seq_001 | length=3 | cyc=linear | N=Ala | C=Gly AKD CC(C)C[C@@H](NC(=O)[C@@H](N)C)C(=O)N... >Seq_002 | length=3 | cyc=capped | N=Ac | C=NH2 FRW c1ccc(C[C@@H](NC(=O)[C@@H]... >Seq_003 | length=4 | cyc=head-to-tail ACDE CC[C@H](C)[C@@H](NC(=O)[C@H]...
Pay Per Job, No Subscription
Pick the tier that matches your library’s complexity. Researchers at approved institutions pay a reduced rate, or nothing at all.
Ideal for small-scale screening with D-enantiomers. Linear and basic cyclic peptides up to trimers.
- Up to 3 peptide length
- D amino acids only
- 2 of 4 filters
- 3 cyclization types
- End capping (N-cap & C-cap)
Full D/L amino acid access with expanded filters and cyclization for rigorous CADD campaigns.
- Up to 4 peptide length
- D & L amino acids
- 3 of 4 filters
- 5 cyclization types
- End capping (N-cap & C-cap)
Maximum peptide length, all 8 cyclization strategies, all filters — comprehensive combinatorial coverage.
- Up to 5 peptide length
- D & L amino acids
- 4 of 4 filters
- 8 cyclization types
- End capping (N-cap & C-cap)
Enumerate derivatives of a lead compound by specifying substituent SMILES. Up to 50 substituents per job.