|
Id. |
PDB |
Type |
SubType |
ForceField |
Solvent |
Description |
Time (ns) |
Sequence |
|
NAFlex_2lpw |
2LPW |
Dna |
G-loop |
parmBSC1 |
TIP3P |
DNA Single Stranded Naked ParmBSC1 TIP3P Electroneutral G-Loop |
5,000 |
AAGGGTGGGTGTAAGTGTGGGTGGGT |
|
NAFlex_GGGA |
NONE |
Dna |
B |
parmBSC1 |
SPCE |
DNA-B Duplex Naked ParmBSC1 SPC/E AddedSalt |
1,000 |
GCGAGGGAGGGAGGGAGC |
|
NAFlex_GGGC |
NONE |
Dna |
B |
parmBSC1 |
SPCE |
DNA-B Duplex Naked ParmBSC1 SPC/E AddedSalt |
1,000 |
GCGCGGGCGGGCGGGCGC |
|
NAFlex_GGGG |
NONE |
Dna |
B |
parmBSC1 |
SPCE |
DNA-B Duplex Naked ParmBSC1 SPC/E AddedSalt |
1,000 |
GCGGGGGGGGGGGGGGGC |
|
NAFlex_GGGT |
NONE |
Dna |
B |
parmBSC1 |
SPCE |
DNA-B Duplex Naked ParmBSC1 SPC/E AddedSalt |
1,000 |
GCGTGGGTGGGTGGGTGC |
|
NAFlex_lks2 |
NONE |
Dna |
B |
parmBSC1 |
TIP3P |
DNA-B Duplex Naked ParmBSC1 TIP3P Electroneutral |
1,000 |
CTAGGTGGATGACTCATT |
|
NAFlex_muGGGA |
NONE |
Dna |
B |
parmBSC0 |
SPCE |
DNA-B Duplex Naked ParmBSC0 SPC/E AddedSalt |
1,000 |
GCGAGGGAGGGAGGGAGC |
|
NAFlex_muGGGC |
NONE |
Dna |
B |
parmBSC0 |
SPCE |
DNA-B Duplex Naked ParmBSC0 SPC/E AddedSalt |
1,000 |
GCGCGGGCGGGCGGGCGC |
|
NAFlex_muGGGG |
NONE |
Dna |
B |
parmBSC0 |
SPCE |
DNA-B Duplex Naked ParmBSC0 SPC/E AddedSalt |
1,000 |
GCGGGGGGGGGGGGGGGC |
|
NAFlex_muGGGT |
NONE |
Dna |
B |
parmBSC0 |
SPCE |
DNA-B Duplex Naked ParmBSC0 SPC/E AddedSalt |
1,000 |
GCGTGGGTGGGTGGGTGC |
|
NAFlex_miniABC_Na_8 |
NONE |
Dna |
B |
parmBSC1 |
SPC/E |
B-DNA Duplex Naked ParmBSC1 SPC/E 0.15 mol NaCl |
1,000 |
GCGGAGGGCCGGGTGGGC |
|
NAFlex_miniABC_NaK_8 |
NONE |
Dna |
B |
parmBSC1 |
SPC/E |
B-DNA Duplex Naked ParmBSC1 SPC/E 0.15 mol NaCl/KCl 50%/50% |
1,000 |
GCGGAGGGCCGGGTGGGC |
|
NAFlex_miniABC_K_8 |
NONE |
Dna |
B |
parmBSC1 |
SPC/E |
B-DNA Duplex Naked ParmBSC1 SPC/E 0.15 mol KCl |
1,000 |
GCGGAGGGCCGGGTGGGC |
|
NAFlex_RNA_miniABC_KCl_8 |
NONE |
Rna |
A |
parmBSC0+OL3 |
TIP3P |
RNA-A Duplex Naked TIP3P AddedSalt |
1,000 |
GCGGAGGGCCGGGUGGGC |
|
NAFlex_2rn1 |
2RN1 |
Rna |
A |
parmBSC0 |
TIP3P |
RNA-A Naked ParmBSC0 TIP3P Electroneutral TAR Hairpin-loops Aptamer Kissing-loops |
906 |
GAGCCCUGGGAGGCUC |
|
NAFlex_nucWT16 |
1KX5 |
Dna |
B |
parmBSC1 |
TIP3P |
DNA-B Duplex Naked ParmBSC1 TIP3P AddedSalt |
700 |
ATCAATATCCACCTGCAGATACTACCAAAAGTGTATTTGGAAACTGCTCCATCAAAAGGCATGTTCAGCTGGAATCCAGCTGAACATGCCTTTTGATGGAGCAGTTTCCAAATACACTTTTGGTAGTATCTGCAGGTGGATATTGAT |
|
NAFlex_H3S57p16 |
1KX5 |
Dna |
B |
parmBSC1 |
TIP3P |
DNA-B Duplex Naked ParmBSC1 TIP3P AddedSalt |
700 |
ATCAATATCCACCTGCAGATACTACCAAAAGTGTATTTGGAAACTGCTCCATCAAAAGGCATGTTCAGCTGGAATCCAGCTGAACATGCCTTTTGATGGAGCAGTTTCCAAATACACTTTTGGTAGTATCTGCAGGTGGATATTGAT | ATCAATATCCACCTGCAGATACTACCAAAAGTGTATTTGGAAACTGCTCCATCAAAAGGCATGTTCAGCTGGATTCCAGCTGAACATGCCTTTTGATGGAGCAGTTTCCAAATACACTTTTGGTAGTATCTGCAGGTGGATATTGAT |
|
NAFlex_1kx5 |
1KX5 |
Prot-Dna |
B |
parmBSC1 |
TIP3P |
DNA-B Duplex Complex ParmBSC1 TIP3P AddedSalt Protein-nuc Nucleosome |
500 |
ATCAATATCCACCTGCAGATACTACCAAAAGTGTATTTGGAAACTGCTCCATCAAAAGGCATGTTCAGCTGGAATCCAGCTGAACATGCCTTTTGATGGAGCAGTTTCCAAATACACTTTTGGTAGTATCTGCAGGTGGATATTGAT |
|
NAFlex_CTAG_13 |
NONE |
Dna |
B |
parmBSC1 |
TIP3P |
DNA-B Duplex Naked ParmBSC1 TIP3P AddedSalt |
500 |
CGTCTACTAGGGAGGC |
|
NAFlex_CTAG_17 |
NONE |
Dna |
B |
parmBSC1 |
TIP3P |
DNA-B Duplex Naked ParmBSC1 TIP3P AddedSalt |
500 |
CGTCTCCTAGGGAGGC |
|
NAFlex_CTAG_28 |
NONE |
Dna |
B |
parmBSC1 |
TIP3P |
DNA-B Duplex Naked ParmBSC1 TIP3P AddedSalt |
500 |
CGGAGGCTAGACTCGC |
|
NAFlex_CTAG_29 |
NONE |
Dna |
B |
parmBSC1 |
TIP3P |
DNA-B Duplex Naked ParmBSC1 TIP3P AddedSalt |
500 |
CGGAGGCTAGCCTCGC |
|
NAFlex_CTAG_7 |
NONE |
Dna |
B |
parmBSC1 |
TIP3P |
DNA-B Duplex Naked ParmBSC1 TIP3P AddedSalt |
500 |
CGGGGGCTAGGGGGGC |
|
NAFlex_CTAG_8 |
NONE |
Dna |
B |
parmBSC1 |
TIP3P |
DNA-B Duplex Naked ParmBSC1 TIP3P AddedSalt |
500 |
CGGGGGCTAGCCCCGC |
|
NAFlex_apsGGC |
NONE |
Dna |
Anti parallel triplex GGC |
parmBSC1 |
TIP3P |
DNA Triplex Naked ParmBSC1 TIP3P Electroneutral |
440 |
GGGGGGGGGG | CCCCCCCCCC | GGGGGGGGGG |
|
NAFlex_psGGC |
NONE |
Dna |
parallel triplex GGC |
parmBSC1 |
TIP3P |
DNA Triplex Naked ParmBSC1 TIP3P Electroneutral |
440 |
GGGGGGGGGG | CCCCCCCCCC | GGGGGGGGGG |
|
NAFlex_56merSeq2 |
NONE |
Dna |
B |
parmBSC1 |
TIP3P |
DNA-B Duplex Naked Parm99 TIP3P Electroneutral |
300 |
CGTGGCGGCAGTAGCGCGGTGGTCCCACCTGACCCCATGCCGAACTCAGAAGTGCG |
