[Oligoglycine surface structures: molecular dynamics simulation].
The full-atomic molecular dynamics (MD) simulation of adsorption mode for diantennary oligoglycines [H-Gly4-NH(CH2)5]2 onto graphite and mica surface is described. The resulting structure of adsorption layers is analyzed. The peptide second structure motives have been studied by both STRIDE (structural identification) and DSSP (dictionary of secondary structure of proteins) methods. The obtained results confirm the possibility of polyglycine II (PGII) structure formation in diantennary oligoglycine (DAOG) monolayers deposited onto graphite surface, which was earlier estimated based on atomic-force microscopy measurements.
O A
OA
Gus'kova
P G
PG
Khalatur
A R
AR
Khokhlov
A A
AA
Chinarev
S V
SV
Tsygankova
N V
NV
Bovin
D000327:Adsorption; D000538:Aluminum Silicates / Q000737:chemistry; D006108:Graphite / Q000737:chemistry; D006860:Hydrogen Bonding; D018625:Microscopy, Atomic Force; D008958:Models, Molecular; D056004:Molecular Dynamics Simulation; D010455:Peptides / Q000737:chemistry*; D011487:Protein Conformation; D012996:Solutions; D013499:Surface Properties
D000538:Aluminum Silicates; D010455:Peptides; D012996:Solutions; C517971:muscovite; C011080:polyglycine; D006108:Graphite; C011934:mica