|
Id. |
PDB |
Type |
SubType |
ForceField |
Solvent |
Description |
Time (ns) |
Sequence |
|
NAFlex_ProtDNA_4f6n |
4F6N |
Dna |
B |
parmBSC1 |
TIP3P |
DNA-B Duplex Naked ParmBSC1 TIP3P Electroneutral |
2,000 |
CGTATAGACGCGGTGACAC |
|
NAFlex_2mhi |
2MHI |
Rna |
A |
parmBSC0 |
TIP3P |
RNA-A Duplex Naked ParmBSC0 TIP3P Electroneutral Telomerase |
1,027 |
GGAAACGCCGCGGUCAGCUCGGCUGCUGCGAAGAGUUCGUCUCUGUUGUUUCC |
|
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_AGCG |
NONE |
Dna |
B |
parmBSC1 |
SPCE |
DNA-B Duplex Naked ParmBSC1 SPC/E AddedSalt |
1,000 |
GCCGAGCGAGCGAGCGGC |
|
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_lks4 |
NONE |
Dna |
B |
parmBSC1 |
TIP3P |
DNA-B Duplex Naked ParmBSC1 TIP3P Electroneutral |
1,000 |
GGCGCGCACCACGCGCGG |
|
NAFlex_muCGCG |
NONE |
Dna |
B |
parmBSC0 |
SPCE |
DNA-B Duplex Naked ParmBSC0 SPC/E AddedSalt |
1,000 |
GCCGCGCGCGCGCGCGGC |
|
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_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_K_10 |
NONE |
Dna |
B |
parmBSC1 |
SPC/E |
B-DNA Duplex Naked ParmBSC1 SPC/E 0.15 mol KCl |
1,000 |
GCTACGCGGATCGAGAGC |
|
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_Na_10 |
NONE |
Dna |
B |
parmBSC1 |
SPC/E |
B-DNA Duplex Naked ParmBSC1 SPC/E 0.15 mol NaCl |
1,000 |
GCTACGCGGATCGAGAGC |
|
NAFlex_miniABC_NaK_10 |
NONE |
Dna |
B |
parmBSC1 |
SPC/E |
B-DNA Duplex Naked ParmBSC1 SPC/E 0.15 mol NaCl/KCl 50%/50% |
1,000 |
GCTACGCGGATCGAGAGC |
|
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_RNA_miniABC_KCl_10 |
NONE |
Rna |
A |
parmBSC0+OL3 |
TIP3P |
RNA-A Duplex Naked TIP3P AddedSalt |
1,000 |
GCUACGCGGAUCGAGAGC |
|
NAFlex_CTAG_10 |
NONE |
Dna |
B |
parmBSC1 |
TIP3P |
DNA-B Duplex Naked ParmBSC1 TIP3P AddedSalt |
500 |
CGCGCGCTAGCGCGGC |
|
NAFlex_56merSeq2 |
NONE |
Dna |
B |
parmBSC1 |
TIP3P |
DNA-B Duplex Naked Parm99 TIP3P Electroneutral |
300 |
CGTGGCGGCAGTAGCGCGGTGGTCCCACCTGACCCCATGCCGAACTCAGAAGTGCG |
|
NAFlex_rna4 |
NONE |
Rna |
A |
parmBSC0 |
TIP3P |
RNA-A Duplex Naked ParmBSC0 TIP3P Electroneutral |
201 |
GGCGCGCACCACGCGCGG |
|
NAFlex_CG_noalch2 |
- |
Dna |
B |
parmBSC1 |
TIP3P |
-B Duplex Naked TIP3P Electroneutral |
200 |
XXXXXXXXGGAGAATCCCGGTGCCGAGGCCGCTCAATTGGTCGTAGACAGCTCTAGCACGGCTTAAACCGACGTACGCGCGGTCCCCCGCGTTTTAACCGCCAAGGGGATTACTCCCTAGTCTCCAGGCACGTGTCAGATATATACATC |
|
NAFlex_TF_1hlv_18_dna_wholeA |
- |
Dna |
B |
parmBSC1 |
TIP3P |
DNA-B Duplex Naked TIP3P Electroneutral |
200 |
GCCTTCGTTGGATGCGGXATT |
|
NAFlex_TF_1hlv_18_dna_wholeB |
- |
Dna |
B |
parmBSC1 |
TIP3P |
DNA-B Duplex Naked TIP3P Electroneutral |
200 |
GCCTTCGTTGGATGCGGXATT |
|
NAFlex_TF_1le5_16_dna_wholeA |
- |
Dna |
B |
parmBSC1 |
TIP3P |
DNA-B Duplex Naked TIP3P Electroneutral |
200 |
AGCGGAAATTCCCG |
|
NAFlex_TF_1le5_16_dna_wholeB |
- |
Dna |
B |
parmBSC1 |
TIP3P |
DNA-B Duplex Naked TIP3P Electroneutral |
200 |
AGCGGAAATTCCCG |
|
NAFlex_TF_1hlv_18_wholeA |
- |
Prot |
B |
parmBSC1 |
TIP3P |
-B Duplex Naked TIP3P Electroneutral |
200 |
GCCTTCGTTGGATGCGGXATT |
|
NAFlex_TF_1hlv_18_wholeB |
- |
Prot |
B |
parmBSC1 |
TIP3P |
-B Duplex Naked TIP3P Electroneutral |
200 |
GCCTTCGTTGGATGCGGXATT |
|
NAFlex_TF_1le5_16_wholeA |
- |
Prot |
B |
parmBSC1 |
TIP3P |
-B Duplex Naked TIP3P Electroneutral |
200 |
AGCGGAAATTCCCG |
|
NAFlex_TF_1le5_16_wholeB |
- |
Prot |
B |
parmBSC1 |
TIP3P |
-B Duplex Naked TIP3P Electroneutral |
200 |
AGCGGAAATTCCCG |
|
NAFlex_TF_1le5_17_wholeA |
- |
Prot |
B |
parmBSC1 |
TIP3P |
-B Duplex Naked TIP3P Electroneutral |
200 |
AGCGGAAATTCCCG |
|
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 |
