Collection of SOMD2 input files showcasing SOMD2 FEP capabilities.
noncovalent-rbfe- Standard RBFE calculation for TYK2.sidechain-mutations- Mutation between two canonical amino acid sidechains for MDM2.covalent-rbfe- RBFE calculation between two covalently bound ligands for hCatL.charge-changing-perturbations- Sodium charge changing (Na+ --> Na°) calculation.