Molecular Dynamics Study of the Factors Influencing the β-Cyclodextrin Inclusion Complex Formation of the Isomers of Linear Molecules

Figure 2

(a) The mean value of residence time against for molecules with length  Å and different potential parameters at temperature = 293 K. (b) The mean value of against (each with the corresponding ) for linear molecules with  Å,  kcal/mol, , = 293 K, and different lengths. (c) The mean value of against (each with the corresponding ) for linear molecules with length  Å, , = 293 K, and different values of .

(a)

(b)

(c)