How accurate are your simulations? Effects of confined aqueous volume and AMBER FF99SB and CHARMM22/CMAP force field parameters on structural ensembles of intrinsically disordered proteins: Amyloid-β<sub>42</sub>in water

  • Orkid Coskuner Weber
    Department of Chemistry and Neurosciences Institute, The University of Texas at San Antonio, San Antonio, TX, USA
  • Vladimir N. Uversky
    Department of Molecular Medicine, USF Health Byrd Alzheimer's Research Institute, Morsani College of Medicine, University of South Florida, Tampa, FL, USA

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