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  3. Protein Test Set: For the...
protein-force-field-validation-set

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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  • Molecular Dynamics Group - 1

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  • Protein Test Set:... - 1

Cimkék

  • 45A4 - 1
  • GROMOS - 1
  • No. atoms at least 10000 - 1
  • PDB-1FL0 - 1 x
  • peptide - 1
  • peptide-endothelial... - 1
  • replicate-1 of 1 - 1
  • Simulation time at... - 1
  • solvent-H2O - 1
  • Temperature 290-300 - 1

Formátumok

  • cnf - 1
  • imd - 1
  • log - 1
  • pdb - 1 x
  • top - 1
  • trc.gz - 1
  • tre.gz - 1

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1 dataset found

Formátumok: pdb Cimkék: PDB-1FL0

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  • Endothelial monocyte-activating polypeptide II

    Endothelial monocyte-activating polypeptide II with GROMOS 45A4 in GROMOS (replicate 2 of 1). Initial structure obtained from the Protein Data Bank (PDB). PDB ID: 1FL0, URL:...
    • imd
    • tre.gz
    • cnf
    • log
    • pdb
    • top
    • trc.gz
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The Australasian Computational and Simulation Commons project received investment from the NCRIS-enabled ARDC infrastructure under investment identifier 10.47486/DP723

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