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Intrinsically Disordered Proteins Volume 5, 2017 - Issue 1

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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-β₄₂ in water

Orkid Coskuner WeberDepartment of Chemistry and Neurosciences Institute, The University of Texas at San Antonio, San Antonio, TX, USA;Institut für Physikalische Chemie, Universität zu Köln, Köln, Germany;Molecular Biotechnology Division, Turkisch-Deutsche Universität, IstanbulTurkey

http://orcid.org/0000-0002-0772-9350

Vladimir N. UverskyDepartment of Molecular Medicine, USF Health Byrd Alzheimer's Research Institute, Morsani College of Medicine, University of South Florida, Tampa, FL, USA;Laboratory of New Methods in Biology, Institute for Biological Instrumentation, Russian Academy of Sciences, Pushchino, Moscow Region, RussiaCorrespondence[email protected]

http://orcid.org/0000-0002-4037-5857

Article: e1377813 | Received 26 Jun 2017, Accepted 06 Sep 2017, Published online: 30 Oct 2017

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https://doi.org/10.1080/21690707.2017.1377813
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