TTClust
A versatile molecular simulation trajectory clustering program with graphical summaries — for Amber, GROMACS, CHARMM, NAMD, PDB and more. Developed during my PhD, now widely used by the scientific community.
Alongside my research, I develop open-source tools and web applications to help my students or other labs analyze their data and visualize their results. Everything below is open source and hosted under my Github account.
A versatile molecular simulation trajectory clustering program with graphical summaries — for Amber, GROMACS, CHARMM, NAMD, PDB and more. Developed during my PhD, now widely used by the scientific community.
Interactive viewer for AlphaFold models of the hepatitis E virus replication polyprotein (ORF1), across HEV species and genotypes.
Open app ↗ Source ↗Analysis and visualization of AlphaFold3 results — ipSAE score calculations, per-residue and per-chain plots, and filtering to AlphaFold-only models.
Open app ↗ Source ↗Build AlphaFold3 and Boltz-2 JSON/YAML input files in your browser, with support for many PTMs (including s-farnesyl-l-cysteine).
Open app ↗ Source ↗Convert between simulation steps, timesteps and simulated time — quick unit math for molecular dynamics.
Open app ↗ Source ↗Fetch sequences from UniProt, and copy multiple sequences in a single FASTA file.
Open app ↗ Source ↗Automatic GROMACS protocol from preparation to production, with ligand parametrization integrated (via acpype).
GitHub ↗Correct MRC files with an FFT shift and mirror transform to get fully symmetrical, spherical density maps.
GitHub ↗