Protein Test Set: For the validation of protein force fields based on structural criteria.

A curated test set of 52 high-resolution structures (39 derived from X-ray diffraction, 13 solved using Nuclear Magnetic Resonance (NMR)) used to examine the extent to which...

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បណ្តុំទិន្នន័យ: 3

Barstar

Barstar protein with GROMOS 45A4 in GROMOS (replicate 3 of 3). Initial structure obtained from the Protein Data Bank (PDB). PDB ID: 1BTA, URL: https://www.rcsb.org/structure/1BTA
- imd
- tre.gz
- cnf
- log
- pdb
- top
- trc.gz
Barstar

Barstar protein with GROMOS 45A4 in GROMOS (replicate 2 of 3). Initial structure obtained from the Protein Data Bank (PDB). PDB ID: 1BTA, URL: https://www.rcsb.org/structure/1BTA
- imd
- tre.gz
- cnf
- log
- pdb
- top
- trc.gz
Barstar

Barstar protein with GROMOS 45A4 in GROMOS (replicate 1 of 3). Initial structure obtained from the Protein Data Bank (PDB). PDB ID: 1BTA, URL: https://www.rcsb.org/structure/1BTA
- imd
- tre.gz
- cnf
- log
- pdb
- top
- trc.gz

3 datasets found

Barstar

Barstar

Barstar