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It supplies the mechanistic and directional rationale for the whole compound class, but it is not a human trial and does not establish a human dose

Clashes between protein and lipid atoms were reduced through 2500 conjugate-gradient minimization steps, followed by a 6 ns long MD simulation with a linearly-released positional constraint of 1 kcal mol 1 2 on protein and lipid phosphorus atoms

BioMed Research International, 2023, Article ID 4589782