Biomolecular Structure Prediction

Updated: Nov 25, 2024


Latest versions

3.0.4 for SAMSON 2024 R1

3.0.4 for SAMSON 2024 R1

3.0.4 for SAMSON 2024 R1

Included with all plans

Biomolecular Structure Prediction

Updated: Nov 25, 2024


Latest versions

3.0.4 for SAMSON 2024 R1

3.0.4 for SAMSON 2024 R1

3.0.4 for SAMSON 2024 R1

Predict biomolecular structures from sequences using AlphaFold and Boltz-1.

Predicting with Boltz-1

Click on 'Add protein', 'Add DNA', 'Add RNA' or 'Add ligand' to enter the corresponding sequences, CCD codes or ligand SMILES strings.

Click Add modification if you want to alter the sequences (for proteins, DNA or RNA), and enter the position (the residue index) and the CCD code of the modification.

Click Start prediction.

Calculations are performed on a dedicated A100 GPU in the cloud and use computing credits. A typical structure prediction with Boltz-1 will cost between 0.5 and 1 computing credit. You can obtain computing credits there.

[1] Jeremy Wohlwend, Gabriele Corso, Saro Passaro, Mateo Reveiz, Ken Leidal, Wojtek Swiderski, Tally Portnoi, Itamar Chinn, Jacob Silterra, Tommi Jaakkola, Regina Barzilay. Boltz-1: Democratizing Biomolecular Interaction Modeling. https://www.biorxiv.org/content/10.1101/2024.11.19.624167v1.

Predicting with AlphaFold 2

Enter one or more FASTA files, choose the AlphaFold model (monomer, multimer, etc.) and the database for multiple sequence alignment, and click Start prediction.

Predictions are performed using a choice of cloud machines with varying performances and costs, including powerful instances with A100 GPUs.

You can obtain computing credits there.

Any publication that discloses findings arising from using the AlphaFold service should cite the AlphaFold paper and, if applicable, the AlphaFold-Multimer paper.

https://doi.org/10.1038/s41586-021-03819-2

Biomolecular Structure Prediction is an extension for SAMSON,
the integrative platform for molecular design.

To use Biomolecular Structure Prediction:

1. Create your free account and choose a molecular design plan
2. Download and install SAMSON on your computer


When you restart SAMSON, the extension will be automatically installed
and will be usable directly from within SAMSON.