Dataset of normalized probability distributions of virtual bond lengths, bond angles, and dihedral angles for the coarse-grained single-stranded DNA structures.
Data Brief
; 42: 108284, 2022 Jun.
Article
in En
| MEDLINE
| ID: mdl-35637888
ABSTRACT
The utility of the coarse-grained (CG) single-stranded DNA (ssDNA) model can drastically reduce the compute time for simulating the ssDNA dynamics. The model-matched CG potentials and the inherent potential constants can be derived by coarse-graining the experimentally measured ssDNA structures. A useful and widespread treatment of the CG model is to use three different pseudo-atoms P, S, and B to represent the atomic groups of phosphate, sugar, and base, respectively, in each nucleotide of the ssDNA structures. The three pseudo-atoms generate nine types of the structural parameters to characterize the unstructured ssDNA conformations, including three (virtual) bond lengths (P-S, S-B, and S-P) between two neighbouring beads, four bond angles (P-S-P, S-P-S, P-S-B, and B-S-P) between three adjacent bonds, and two dihedral angles (P-S-P-S and S-P-S-P) between three successive bonds. This paper mainly presents the data of normalized probability distributions of the bond lengths, bond angles, and dihedral angles for the CG ssDNAs.
Full text:
1
Collection:
01-internacional
Database:
MEDLINE
Language:
En
Journal:
Data Brief
Year:
2022
Document type:
Article
Affiliation country:
China