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Pinned

  1. Electrostatics/apbs-pdb2pqr Electrostatics/apbs-pdb2pqr Public archive

    APBS - software for biomolecular electrostatics and solvation

    128 62

  2. jensengroup/propka jensengroup/propka Public

    PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.

    Python 240 58

  3. Electrostatics/pdb2pqr Electrostatics/pdb2pqr Public

    PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.

    Python 115 33