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DSF formed a stable complex with PIK3 via forming interaction with Ile932, Ile800, Ile848, Met772, and Trp780 by scoring energy contributions of 9.37 kJ/mol, 6.07 kJ/mol, 5.87 kJ/mol, 4.41 kJ/mol, and 2.75 kJ/mol, while the residues Asp810, Asp933, and Lys802 opposed the interaction with positive energy of 7.86 kJ/mol, 9.29 kJ/mol, and 10.28 kJ/mol

A critical comparison of biomembrane force fields: structure and dynamics of model DMPC, POPC, and POPE bilayers

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