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Different effects of zwitterion and ethylene glycol on proteins
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10.1063/1.4726135
/content/aip/journal/jcp/136/22/10.1063/1.4726135
http://aip.metastore.ingenta.com/content/aip/journal/jcp/136/22/10.1063/1.4726135

Figures

Image of FIG. 1.
FIG. 1.

Structures of (a) CB; (b) EG4; and (c) the initial configuration of CB1 case.

Image of FIG. 2.
FIG. 2.

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.

Image of FIG. 3.
FIG. 3.

Average numbers of hydrogen bonds of (a) protein-water and (b) protein-solute for five different solutes. Protein is CI2.

Image of FIG. 4.
FIG. 4.

RMSD of the C-α atoms of CI2 in five simulated cases.

Image of FIG. 5.
FIG. 5.

SASA for the nonpolar, polar, positive, negative and aromatic residues and their sum in the five different simulation cases.

Image of FIG. 6.
FIG. 6.

SASAs of hydrophobic and hydrophilic domains in the five simulation cases.

Image of FIG. 7.
FIG. 7.

SASAs of hydrophobic and hydrophilic domains in the Pure, EG4, EG2A, and EG2B cases.

Tables

Generic image for table
Table I.

Force field parameters of CB and EG4. Labeled as shown in Figs. 1(a) and 1(b).

Generic image for table
Table II.

Five simulation cases.

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/content/aip/journal/jcp/136/22/10.1063/1.4726135
2012-06-11
2014-04-25
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Different effects of zwitterion and ethylene glycol on proteins
http://aip.metastore.ingenta.com/content/aip/journal/jcp/136/22/10.1063/1.4726135
10.1063/1.4726135
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