Structures of (a) CB; (b) EG4; and (c) the initial configuration of CB1 case.
RDFs between the oxygen atoms of the solutes and the C-α atoms of each residue in CI2. (a) EG4; (b) CB1; (c) CB2; and (d) CB3.
Average numbers of hydrogen bonds of (a) protein-water and (b) protein-solute for five different solutes. Protein is CI2.
RMSD of the C-α atoms of CI2 in five simulated cases.
SASA for the nonpolar, polar, positive, negative and aromatic residues and their sum in the five different simulation cases.
SASAs of hydrophobic and hydrophilic domains in the five simulation cases.
SASAs of hydrophobic and hydrophilic domains in the Pure, EG4, EG2A, and EG2B cases.
Force field parameters of CB and EG4. Labeled as shown in Figs. 1(a) and 1(b).
Five simulation cases.
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