1887
banner image
No data available.
Please log in to see this content.
You have no subscription access to this content.
No metrics data to plot.
The attempt to load metrics for this article has failed.
The attempt to plot a graph for these metrics has failed.
Electric field effects on chignolin conformation
Rent:
Rent this article for
USD
10.1063/1.3585867
/content/aip/journal/jap/109/9/10.1063/1.3585867
http://aip.metastore.ingenta.com/content/aip/journal/jap/109/9/10.1063/1.3585867

Figures

Image of FIG. 1.
FIG. 1.

(Color online) Chignolin conformation snapshots at the beginning (a) and at the end of molecular dynamics simulations without (b) and with 0.1 (c), 0.25 (d), 0.5 (e) and 0.5 (f) V/nm external electric field. Green color is encoding positively charged residues and red color is encoding negatively charged residues.

Image of FIG. 2.
FIG. 2.

(Color online) Chignolin radius of gyration as a function of time in the absence and in the presence of various external electric fields.

Image of FIG. 3.
FIG. 3.

(Color online) Chignolin backbone RMSD as a function of time in the absence and in the presence of various external electric fields.

Image of FIG. 4.
FIG. 4.

(Color online) Chignolin secondary structure analysis (STRIDE) without (a) and with 0.1 (b), 0.25 (c), 0.5 (d) and 1 (e) V/nm external electric field. Cyan turns; Yellow extended conformation; white random coils; Tan isolated beta bridges.

Image of FIG. 5.
FIG. 5.

(Color online) The angle between chignolin total dipole moment and the electric field as a function of time in the absence and in the presence of various external electric fields. Note that angle fluctuations decrease in higher electric fields.

Image of FIG. 6.
FIG. 6.

(Color online) Snapshots of chignolin conformation in the presence of 1 V/nm external electric field taken at 2605 ps (a), 2805 ps (b), 3005 ps (c), 3205 ps (d), 3405 ps (e) after the beginning of the molecular dynamics simulation. Green color is encoding positively charged residues and red color is encoding negatively charged residues. Note how the unfolding process starts with the opposite movement of the positive N-terminal and negative C-terminal residues.

Tables

Generic image for table
Table I.

Mean, maximum (Max) and minimum (Min) number of hydrogen bonds (HBs) during molecular dynamics simulations in the absence and in the presence of various electric fields. Mean distance and standard deviation (SD) of the distance between donor and acceptor atoms of three interstrand HBs. Note the use of the following abbreviations: Gly (Glycine), Asp (Aspartic acid), Thr (Threonine), and ••• (hydrogen bond).

Loading

Article metrics loading...

/content/aip/journal/jap/109/9/10.1063/1.3585867
2011-05-13
2014-04-20
Loading

Full text loading...

This is a required field
Please enter a valid email address
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Electric field effects on chignolin conformation
http://aip.metastore.ingenta.com/content/aip/journal/jap/109/9/10.1063/1.3585867
10.1063/1.3585867
SEARCH_EXPAND_ITEM