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krenske

Krenske Group

Our laboratory uses computer simulations to explore molecular structure and behaviour, from small molecules to proteins. The laboratory’s research is directed toward the...

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  • Krenske Group - 1

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  • 4-phenylbenzoic... - 1
  • AMBER - 1
  • Cytochrome P450 - 1
  • enzyme - 1
  • No. atoms at least 10000 - 1
  • protein-CYP199A4 - 1
  • replicate-1 of 4 - 1
  • Simulation time at... - 1
  • solvent-H2O - 1
  • Temperature 300-310 - 1

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  • inpcrd - 1
  • mdin - 1
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  • ncrst - 1
  • out - 1
  • prmtop - 1 x

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Formatos: prmtop

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  • CYP199A4-F182L in complex with 4-phenylbenzoic acid

    CYP199A4-F182L in complex with 4-phenylbenzoic acid with FF14SB+TIP3P in AMBER (replicate 1 of 4). https://doi.org/10.1002/chem.202201895
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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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