Modeling the Effect on a Novel Fungal Peptaibol Placed in an All-Atom Bacterial Membrane Mimicking System via Accelerated Molecular Dynamics Simulations

Modeling the Effect on a Novel Fungal Peptaibol Placed in an All-Atom Bacterial Membrane Mimicking System via Accelerated Molecular Dynamics Simulations

We previously reported on a novel peptaibol, named Tripleurin XIIc (TPN), an 18-residue long sequence produced by the fungus <i>Trichoderma pleuroti</i>. We elucidated its 3D structure via classical and accelerated molecular dynamics simulation (aMD) methods and reported the folding dyna...

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Bibliographic Details
Main Authors: Chetna Tyagi, Tamás Marik, András Szekeres, Csaba Vágvölgyi, László Kredics, Ferenc Ötvös
Format: Article
Language:English
Published: MDPI AG 2023-11-01
Series:Life
Subjects:
peptaibol
bilayer membrane
<i>Trichoderma</i>
molecular dynamics simulations
Online Access:https://www.mdpi.com/2075-1729/13/12/2288

Internet

https://www.mdpi.com/2075-1729/13/12/2288

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