Prepare structures, run molecular dynamics, dock ligands and analyze trajectories from your browser. Jobs run on your own computer for free, results are kept safely in your Code2Fold account.
Fetch a PDB or an AlphaFold DB model, complete missing atoms and residues and add hydrogens with PDBFixer.
Solvation, minimization, NVT/NPT equilibration and production with OpenMM (Amber14), or your own GROMACS inputs. CUDA, OpenCL or CPU.
Dock small molecules with AutoDock Vina: SMILES or SDF/MOL2 ligands, a box around the crystal ligand, a manual box or blind docking.
Chain steps from a template (prepare → minimize → equilibrate → MD → analysis) and run the same tool over many inputs at once.
A PyMOL-style viewer with commands, selections and measurements. Export PNG up to 4×, 360° MP4 videos or a PyMOL session script.
Every job is tracked in projects with its full lineage. Drive Studio from scripts (REST API) or from AI assistants such as Claude (MCP).
Open a structure in Studio's viewer and run one-click analyses from the side panel. They run in your browser and cost nothing; anything you find can go straight into a docking or simulation job.
Find the pocket around a bound ligand, or predict the most likely one from burial and concavity, with a druggability score.
Swap any residue for one of the 20 amino acids with rotamer selection and a clash report. The mutant opens as its own object.
2D ligand interaction maps, chain–chain interfaces (H-bonds, salt bridges, hydrophobic and aromatic contacts) and salt bridges.
Fetch a second structure by PDB ID and superpose it onto yours; the RMSD and matched atom count are reported.
A Gaussian network model predicts per-residue flexibility and colors the structure from rigid to flexible, compared against B-factors.
Ramachandran plots, H-bond networks, contact maps, a B-cell epitope finder, UniProt and STRING lookups — plus a drug-discovery tab that sends ligands to real AutoDock Vina docking and screening jobs.
The metrics you reach for first are ready today; more analyses are on the way.
No cluster tickets. Add your computer once with a single command; Studio sends it the jobs and keeps the results.
Open Studio →Run one command on Linux, Windows or macOS. Engines like docking install themselves the first time you use them.
Start from a PDB ID, an AlphaFold model or your own file; chain steps into a workflow or run a batch.
Your GPU or CPU does the work; results, structures and trajectories are stored in your account.
Inspect results in the viewer, organize them in projects and export images, videos and structures.