TABLE 3.

Decomposition of binding free energy (kJ/mol) for both nanomicelles extracted from all frames of molecular dynamics trajectories

NM	Functions
	VdW‐energy	ES energy	PS energy	SASA energy	Total energy
PLA–PEG‐FA	−90.605	−88.417	19.1139	−11.938	−171.84
PLA–PEG	−3.49	−2.61	5.835	−0.808	−1.073

Abbreviations: ES, electrostatic energy; NM, nanomicelle; PS, polar solvation energy; SASA, Solvent accessible surface area; VdW, Van der Waals energy.