hydrogen bonding binding free energy secondary structure analysis rmsd conformational dynamics e2 partial agonist of estrogen receptor alpha equilibration heating minimization amber16 licorice roots glabridin estrogen receptor alpha molecular dynamics simulation guselkumab ixekizumab (taltz) il-17a il-17 brodalumab secukinumab il-17ra #epinephrine #nmr #ir #c-nmr #interpretation #pri #facs #applications #development #challenges #
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