13 ms·
He’s using the alpha carbons (CA) adjacent to the carbonyl groups as well as the carbonyl oxygens (O), approximating the peptide plane. In addition he incorpora
by flobosg 2y ago
He’s using the alpha carbons (CA) adjacent to the carbonyl groups as well as the carbonyl oxygens (O), approximating the peptide plane. In addition he incorporates heteroatoms, so the scoring function takes ligands into account, if present.