|
Id. |
PDB |
Type |
SubType |
ForceField |
Solvent |
Description |
Time (ns) |
Sequence |
|
NAFlex_hybrid |
NONE |
Rna |
A |
parmBSC0 |
TIP3P |
Hybrid-A Duplex Naked ParmBSC0 TIP3P Electroneutral |
1,037 |
CTACACGG |
|
NAFlex_437d |
437D |
Rna |
A |
parmBSC0 |
TIP3P |
RNA-A Single Stranded Naked ParmBSC0 TIP3P Electroneutral Pseudoknot Flipout-bases Overhanging-bases Loops |
1,015 |
GGCGCGGCACCGUCCGCGGAACAAACGG |
|
NAFlex_lks3 |
NONE |
Dna |
B |
parmBSC1 |
TIP3P |
DNA-B Duplex Naked ParmBSC1 TIP3P Electroneutral |
1,000 |
CACGGAACCGGTTCCGTG |
|
NAFlex_1g14 |
1G14 |
Dna |
B |
parm99 |
TIP3P |
DNA-B Duplex Naked Parm99 TIP3P AddedSalt |
1,000 |
GGCAAGAAACGG |
|
NAFlex_muCGGA |
NONE |
Dna |
B |
parmBSC0 |
SPCE |
DNA-B Duplex Naked ParmBSC0 SPC/E AddedSalt |
1,000 |
GCGACGGACGGACGGAGC |
|
NAFlex_miniABC_NaK_13 |
NONE |
Dna |
B |
parmBSC1 |
SPC/E |
B-DNA Duplex Naked ParmBSC1 SPC/E 0.15 mol NaCl/KCl 50%/50% |
1,000 |
GCTTGTGACGGCTAGGGC |
|
NAFlex_miniABC_K_13 |
NONE |
Dna |
B |
parmBSC1 |
SPC/E |
B-DNA Duplex Naked ParmBSC1 SPC/E 0.15 mol KCl |
1,000 |
GCTTGTGACGGCTAGGGC |
|
NAFlex_miniABC_Na_13 |
NONE |
Dna |
B |
parmBSC1 |
SPC/E |
B-DNA Duplex Naked ParmBSC1 SPC/E 0.15 mol NaCl |
1,000 |
GCTTGTGACGGCTAGGGC |
|
NAFlex_RNA_miniABC_KCl_13 |
NONE |
Rna |
A |
parmBSC0+OL3 |
TIP3P |
RNA-A Duplex Naked TIP3P AddedSalt |
1,000 |
GCUUGUGACGGCUAGGGC |
|
NAFlex_miniABC_13_CG |
NONE |
Dna |
B |
CGeNArate |
No |
DNA-B Duplex Naked |
1,000 |
GCTTGTGACGGCTAGGGC |
|
NAFlex_56merTIP3P |
NONE |
Dna |
B |
parmBSC1 |
TIP3P |
DNA-B Duplex Naked ParmBSC1 TIP3P Electroneutral |
500 |
CGCGATTGCCTAACGGACAGGCATAGACGTCTATGCCTGTCCGTTAGGCAATCGCG |
|
NAFlex_AAf |
NONE |
Dna |
B |
parmBSC1 |
TIP3P |
DNA-B Duplex Naked ModifiedNucleotides ParmBSC1 TIP3P Electroneutral |
500 |
CCATACAATACGG |
|
NAFlex_GGf |
NONE |
Dna |
B |
parmBSC1 |
TIP3P |
DNA-B Duplex Naked ModifiedNucleotides ParmBSC1 TIP3P Electroneutral |
500 |
CCATACGATACGG |
|
NAFlex_56merSPCE |
NONE |
Dna |
B |
parmBSC1 |
SPCE |
DNA-B Duplex Naked ParmBSC1 SPC/E Electroneutral |
290 |
CGCGATTGCCTAACGGACAGGCATAGACGTCTATGCCTGTCCGTTAGGCAATCGCG |
|
NAFlex_rna3 |
NONE |
Rna |
A |
parmBSC0 |
TIP3P |
RNA-A Duplex Naked ParmBSC0 TIP3P Electroneutral |
202 |
CACGGAACCGGUUCCGUC |
|
NAFlex_1fzx |
1FZX |
Dna |
B |
parmBSC1 |
TIP3P |
DNA-B Duplex Naked ParmBSC1 TIP3P Electroneutral A-track |
200 |
GGCAAAAAACGG |
|
NAFlex_CG_noalch2 |
- |
Dna |
B |
parmBSC1 |
TIP3P |
-B Duplex Naked TIP3P Electroneutral |
200 |
XXXXXXXXGGAGAATCCCGGTGCCGAGGCCGCTCAATTGGTCGTAGACAGCTCTAGCACGGCTTAAACCGACGTACGCGCGGTCCCCCGCGTTTTAACCGCCAAGGGGATTACTCCCTAGTCTCCAGGCACGTGTCAGATATATACATC |
|
NAFlex_v100t9 |
NONE |
Dna |
B |
parmBSC1 |
TIP3P |
DNA-B Duplex Naked Parm99 TIP3P AddedSalt |
100 |
ATCTTGGCAGTTAATCGAACAAGACCCGTGCAATGCTATCGACATCAAGGCCTATCGTTACGGGGTTGGGAGTCAATGGGTTCAGGATGCAGGTGAGGAT |
|
NAFlex_v106Bt10 |
NONE |
Dna |
B |
parmBSC1 |
TIP3P |
DNA-B Duplex Naked Parm99 TIP3P AddedSalt |
100 |
TGCGGCAGTTAATCGAACAAGACCCGTGCAATGCTATCGACATCAAGGCCTATCGCTATTACGGGGTTGGGAGTCAATGGGTTCAGGATGCAGGTGAGGATATCTT |
|
NAFlex_v106Ct10 |
NONE |
Dna |
B |
parmBSC1 |
TIP3P |
DNA-B Duplex Naked Parm99 TIP3P AddedSalt |
100 |
GAGGATATCTTTGCGGCAGTTAATCGAACAAGACCCGTGCAATGCTATCGACATCAAGGCCTATCGCTATTACGGGGTTGGGAGTCAATGGGTTCAGGATGCAGGT |
|
NAFlex_v106R2t10 |
NONE |
Dna |
B |
parmBSC1 |
TIP3P |
DNA-B Duplex Naked Parm99 TIP3P AddedSalt |
100 |
ATCTTTGCGGCAGTTAATCGAACAAGACCCGTGCAATGCTATCGACATCAAGGCCTATCGCTATTACGGGGTTGGGAGTCAATGGGTTCAGGATGCAGGTGAGGAT |
|
NAFlex_v106R3t10 |
NONE |
Dna |
B |
parmBSC1 |
TIP3P |
DNA-B Duplex Naked Parm99 TIP3P AddedSalt |
100 |
ATCTTTGCGGCAGTTAATCGAACAAGACCCGTGCAATGCTATCGACATCAAGGCCTATCGCTATTACGGGGTTGGGAGTCAATGGGTTCAGGATGCAGGTGAGGAT |
|
NAFlex_v106t10 |
NONE |
Dna |
B |
parmBSC1 |
TIP3P |
DNA-B Duplex Naked Parm99 TIP3P AddedSalt |
100 |
ATCTTTGCGGCAGTTAATCGAACAAGACCCGTGCAATGCTATCGACATCAAGGCCTATCGCTATTACGGGGTTGGGAGTCAATGGGTTCAGGATGCAGGTGAGGAT |
|
NAFlex_v106t9 |
NONE |
Dna |
B |
parmBSC1 |
TIP3P |
DNA-B Duplex Naked Parm99 TIP3P AddedSalt |
50 |
ATCTTTGCGGCAGTTAATCGAACAAGACCCGTGCAATGCTATCGACATCAAGGCCTATCGCTATTACGGGGTTGGGAGTCAATGGGTTCAGGATGCAGGTGAGGAT |