f1000research.com
Browse
DATASET
data_file_1.csv (0.71 kB)
DATASET
data_file_2.csv (0.59 kB)
DATASET
data_file_3.csv (0.29 kB)
DATASET
data_file_4.csv (0.54 kB)
DATASET
data_file_5.csv (0.19 kB)
DATASET
data_file_6.csv (0.33 kB)
DATASET
data_file_7.csv (142.25 kB)
1/0
7 files

Data of theoretical modelling of epigenetically modified DNA sequences

dataset
posted on 2015-04-17, 06:33 authored by Alexandra Teresa Pires Carvalho, Maria Leonor Gouveia, Charan Raju Kanna, Sebastian K. T. S. Wärmländer, Jamie Platts, Shina Caroline Lynn Kamerlin

Data file 1
Local base pair parameters for the central GC in d(GCG) and d(ACA) modifications. The shear, stretch and stagger parameters are measured in Å, and the buckle, propeller and opening parameters are measured in ˚.

Data file 2
Base pair step and local helical parameters for the central GC in d(GCG) and d(ACA) modifications. The slide and X-displacement parameters are measured in Å, and the roll, twist and inclination parameters are measured in ˚.

Data file 3
Comparison between the obtained base pair parameters for the d(GCG) using different levels of theory (DFT and the QM/MM with 2bps or 6bps in the high level layer). The shear, stretch and stagger parameters are measured in Å, and the buckle, propeller and opening parameters are measured in ˚.

Data file 4
Comparison between the obtained base step parameters for the d(GCG) using different levels of theory (DFT and the QM/MM with 2bps or 6bps in the high level layer). The slide, shift and rise parameters are measured in Å, and the tilt, roll and twist parameters are measured in ˚.

Data file 5
Values of local base pair parameters of central GC pair of d(GCG) obtained after energy minimization. The shear, stretch and stagger parameters are measured in Å, and the buckle, propeller and opening parameters are measured in ˚.

Data file 6
Values of base pair step parameters of d(GCG), obtained after energy minimization. The shift, slide and rise parameters are measured in Å, and the tilt, roll and twist parameters are measured in °.

Data file 7
Cartesian coordinates of key species.

 

History

Usage metrics

    f1000research.com

    Licence

    Exports

    RefWorks
    BibTeX
    Ref. manager
    Endnote
    DataCite
    NLM
    DC