|
Id. |
PDB |
Type |
SubType |
ForceField |
Solvent |
Description |
Time (ns) |
Sequence |
|
NAFlex_D05M |
1BNA |
Dna |
B |
parmBSC1 |
TIP3P |
DNA-B Duplex Naked ParmBSC1 TIP3P AddedSalt |
3,000 |
CGCGAATTCGCG |
|
NAFlex_DTipDang015M |
1BNA |
Dna |
B |
parmBSC1 |
TIP3P |
DNA-B Duplex Naked ParmBSC1 TIP3P AddedSalt |
2,000 |
CGCGAATTCGCG |
|
NAFlex_BSC1-BSC0 |
1NAJ |
Dna |
B |
parmBSC0 |
TIP3P |
DNA-B Duplex Naked TIP3P Electroneutral ParmBSC0 |
1,500 |
CGCGAATTCGCG |
|
NAFlex_BSC1-C36 |
1NAJ |
Dna |
B |
Charmm36 |
TIP3P |
DNA-B Duplex Naked Charmm36 TIP3P Electroneutral |
1,500 |
CGCGAATTCGCGCGCGAATTCGCG |
|
NAFlex_BSC1-Garcia |
1NAJ |
Dna |
B |
ParmBSC0-CG |
TIP3P |
DNA-B Duplex Naked Cheng-Garcia TIP3P Electroneutral |
1,500 |
CGCGAATTCGCG |
|
NAFlex_BSC1-OL1 |
1NAJ |
Dna |
B |
ParmBSC0-OL1 |
TIP3P |
DNA-B Duplex Naked OL1 TIP3P Electroneutral |
1,500 |
CGCGAATTCGCG |
|
NAFlex_BSC1-OL1-OL4 |
1NAJ |
Dna |
B |
ParmBSC0-OL1-OL4 |
TIP3P |
DNA-B Duplex Naked OL1+OL4 TIP3P Electroneutral |
1,500 |
CGCGAATTCGCG |
|
NAFlex_BSC1-OL4 |
1NAJ |
Dna |
B |
ParmBSC0-OL4 |
TIP3P |
DNA-B Duplex Naked OL4 TIP3P Electroneutral |
1,500 |
CGCGAATTCGCG |
|
NAFlex_DDD_II |
1BNA |
Dna |
B |
parmBSC1 |
TIP3P |
DNA-B Duplex Naked DDD ParmBSC1 TIP3P Electroneutral |
1,200 |
CGCGAATTCGCG |
|
NAFlex_DDD_II_1 |
1NAJ |
Dna |
B |
parmBSC1 |
TIP3P |
DNA-B Duplex Naked DDD ParmBSC1 TIP3P Electroneutral |
1,000 |
CGCGAATTCGCG |
|
NAFlex_DDD_II_2 |
1NAJ |
Dna |
B |
parmBSC1 |
TIP3P |
DNA-B Duplex Naked DDD ParmBSC1 TIP3P Electroneutral |
1,000 |
CGCGAATTCGCG |
|
NAFlex_DSpcCheatham |
1BNA |
Dna |
B |
parmBSC1 |
SPCE |
DNA-B Duplex Naked ParmBSC1 SPC/E Electroneutral |
1,000 |
CGCGAATTCGCG |
|
NAFlex_DSpcDang |
1BNA |
Dna |
B |
parmBSC1 |
SPCE |
DNA-B Duplex Naked ParmBSC1 SPC/E Electroneutral |
1,000 |
CGCGAATTCGCG |
|
NAFlex_DTipCheatham |
1BNA |
Dna |
B |
parmBSC1 |
TIP3P |
DNA-B Duplex Naked ParmBSC1 TIP3P Electroneutral |
1,000 |
CGCGAATTCGCG |
|
NAFlex_DDD_800ns |
1NAJ |
Dna |
B |
parmBSC1 |
TIP3P |
DNA-B Duplex Naked DDD ParmBSC1 TIP3P Electroneutral |
800 |
CGCGAATTCGCG |
|
NAFlex_A-Ethanol |
1BNA |
Dna |
A (in ethanol) |
parmBSC1 |
Wat-Ethanol |
DNA-A Duplex Naked ParmBSC1 Water-Ethanol Electroneutral |
200 |
CGCGAATTCGCG |
|
NAFlex_DDD_GMX_CPU |
1NAJ |
Dna |
B |
parmBSC1 |
TIP3P |
DNA-B Duplex Naked DDD ParmBSC1 TIP3P Electroneutral |
100 |
CGCGAATTCGCG |
|
NAFlex_DDD_GMX_GPU |
1NAJ |
Dna |
B |
parmBSC1 |
TIP3P |
DNA-B Duplex Naked DDD ParmBSC1 TIP3P Electroneutral |
100 |
CGCGAATTCGCG |
|
NAFlex_DDD_Amber_CPU |
1NAJ |
Dna |
B |
parmBSC1 |
TIP3P |
DNA-B Duplex Naked DDD ParmBSC1 TIP3P Electroneutral |
100 |
CGCGAATTCGCG |
|
NAFlex_DDD_Amber_GPU |
1NAJ |
Dna |
B |
parmBSC1 |
TIP3P |
DNA-B Duplex Naked DDD ParmBSC1 TIP3P Electroneutral |
100 |
CGCGAATTCGCG |
|
NAFlex_A2B_1 |
1BNA |
Dna |
B |
parmBSC1 |
TIP3P |
DNA-Mixed Duplex Naked ParmBSC1 TIP3P Electroneutral Transition |
40 |
CGCGAATTCGCG |
|
NAFlex_A2B_2 |
1BNA |
Dna |
B |
parmBSC1 |
TIP3P |
DNA-Mixed Duplex Naked ParmBSC1 TIP3P Electroneutral Transition |
40 |
CGCGAATTCGCG |
|
NAFlex_A2B_3 |
1BNA |
Dna |
B |
parmBSC1 |
TIP3P |
DNA-Mixed Duplex Naked ParmBSC1 TIP3P Electroneutral Transition |
40 |
CGCGAATTCGCG |
|
NAFlex_A2B_4 |
1BNA |
Dna |
B |
parmBSC1 |
TIP3P |
DNA-Mixed Duplex Naked ParmBSC1 TIP3P Electroneutral Transition |
40 |
CGCGAATTCGCG |
|
NAFlex_A2B_5 |
1BNA |
Dna |
B |
parmBSC1 |
TIP3P |
DNA-Mixed Duplex Naked ParmBSC1 TIP3P Electroneutral Transition |
40 |
CGCGAATTCGCG |
