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MM/PBSA (Molecular Mechanics/Poisson-Boltzmann Surface Area) calculates the free energy difference between the ligand and the protein-ligand complex in various states, which helps evaluate the binding affinity of a ligand to a protein
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Separately sourcing and combining peptides introduces additional reconstitution steps, potential dosing inconsistencies, and higher total cost when sourcing individual vials
Of course, further studies are needed for validation
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