Run AutoDock Vina docking, design protein sequences with ProteinMPNN, and engineer ligand-binding proteins with LigandMPNN—all from a single web interface.
From small molecule docking to de novo protein design—integrated workflows for computational biology.
Virtual screening for drug discovery. Predict how small molecules bind to protein targets and rank compounds by binding affinity.
Design protein sequences for given backbone structures. Generate sequences that fold into your target conformation.
Design proteins that bind specific ligands. Engineer enzymes and binding proteins considering ligand interactions.
Stop switching between tools. MolNexus integrates docking and protein design in a unified interface.
Native support for CIF/mmCIF files from AlphaFold or PDB directly.
Visualize structures, define docking boxes, and inspect results in real-time with 3Dmol.js.
Run computationally intensive jobs on the server. No local installation required.
Download structures, sequences, and data in standard formats: PDB, PDBQT, FASTA, CSV.
Scale your molecular design workflow with flexible pricing.
For exploring the platform
For individual researchers
For research teams
Docking, protein design, and ligand-aware engineering—all in one platform.