Characterizing the Conformational Landscape of Flavivirus Fusion Peptides via Simulation and Experiment

@inproceedings{Marzinek2016CharacterizingTC,
  title={Characterizing the Conformational Landscape of Flavivirus Fusion Peptides via Simulation and Experiment},
  author={Jan K. Marzinek and Rajamani Lakshminarayanan and Eunice Tze Leng Goh and Roland G. Huber and Sadhana Panzade and Chandra Shekhar Verma and Peter J. Bond},
  booktitle={Scientific reports},
  year={2016}
}
Conformational changes in the envelope proteins of flaviviruses help to expose the highly conserved fusion peptide (FP), a region which is critical to membrane fusion and host cell infection, and which represents a significant target for antiviral drugs and antibodies. In principle, extended timescale atomic-resolution simulations may be used to characterize the dynamics of such peptides. However, the resultant accuracy is critically dependent upon both the underlying force field and sufficient… CONTINUE READING
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