This observation supports the hypothesis that dioxygen molecules can enter the enzymes active site from two different directionsboth through the putative oxygen channel and the substrate entrance
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2. Tirzepatide (GLP-1 + GIP)
Galeano Nio, JL, Ponath, F, Ajisafe, VA, Becker, CR, Kempchinsky, AG, Zepeda Rivera, M, Gomez, JA, Wu, H, Terrazas, JG, Bouzek, H, Cromwell, E, Chanana, P, Wong, M, Damania, A, White, MG, You, YN, Kopetz, S , Ajami, NJ, Wargo, J, Johnston, CD, Bullman, S
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During molecular docking procedure, Coulombic interactions, freezing of rotatable bonds, hydrophobic contacts, intermolecular hydrogen bonds, metal bond formations, polar contacts, the penalty for buried polar groups, van der Waals interactions, solvent (water) desolvation energy, and binding affinity elevating intermolecular contacts formation were allowed in the XP docking scoring protocol 47,48
