Tripleurin XIIc: Peptide Folding Dynamics in Aqueous and Hydrophobic Environment Mimic Using Accelerated Molecular Dynamics.

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作者： Chetna,Tyagi ^[1] ; Tamás,Marik ^[2] ; András,Szekeres ^[3] ; Csaba,Vágvölgyi ^[4] ; László,Kredics ^[5] ; Ferenc,Ötvös ^[6]

作者单位： Department of Microbiology, Faculty of Science and Informatics, University of Szeged, Szeged, Közép fasor 52, H-6726 Szeged, Hungary. cheta231@gmail.com. ^[1] Doctoral School of Biology, Faculty of Science and Informatics, University of Szeged, Szeged, Közép fasor 52, H-6726 Szeged, Hungary. cheta231@gmail.com. ^[2] Department of Microbiology, Faculty of Science and Informatics, University of Szeged, Szeged, Közép fasor 52, H-6726 Szeged, Hungary. mariktamas88@gmail.com. ^[3] Department of Microbiology, Faculty of Science and Informatics, University of Szeged, Szeged, Közép fasor 52, H-6726 Szeged, Hungary. szandras@bio.u-szeged.hu. ^[4] Department of Microbiology, Faculty of Science and Informatics, University of Szeged, Szeged, Közép fasor 52, H-6726 Szeged, Hungary. mucor1959@gmail.com. ^[5] Department of Microbiology, Faculty of Science and Informatics, University of Szeged, Szeged, Közép fasor 52, H-6726 Szeged, Hungary. kredics@bio.u-szeged.hu. ^[6] Institute of Biochemistry, Biological Research Centre, Szeged, Temesvári krt. 62, H-6726 Szeged, Hungary. otvos@brc.hu. ^[7]

关键词 enhanced sampling molecular dynamics simulations peptaibols principal component analysis solvent tripleurin