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MacKerell, Jr. A.D., Bashford, D., Bellott, M., Dunbrack, R.L., Evanseck, J.D., Field, M,J., Fischer, S., Gao, J., Guo, H., Ha, S., Joseph-McCarthy, D., Kuchnir, L., Kuczera, K., Lau, F.T., Mattos, C., Michnick, S., Ngo, T., Nguyen, D.T., Prodhom, B., Reiher, W.E., Roux, B., Schlenkrich, M., Smith, J.C., Stote, R., Straub, J., Watanabe, M., Wiórkiewicz-Kuczera, J., Yin, D. and Karplus, M. (1998) All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins. Journal of Physical Chemistry B, 102, 3586-3616.
https://doi.org/10.1021/jp973084f
has been cited by the following article:
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TITLE:
Spontaneous Unfolding and Refolding of Plantaricin α-Helix in Molecular Dynamics Simulation
AUTHORS:
Shaomin Yan, Guang Wu
KEYWORDS:
Alpha-Helix, Antimicrobial Peptides, Protein Folding, Plantaricin A
JOURNAL NAME:
Computational Molecular Bioscience,
Vol.9 No.1,
March
28,
2019
ABSTRACT: Antimicrobial peptides are promising therapeutic
agents in view of increasing resistance to conventional antibiotics.
Antimicrobial peptides usually fold in α-helical, β-sheet, and
extended/random-coil structures. The α-helical antimicrobial peptides are often unstructured in aqueous
solution but become structured on bacterial membrane. The α-helical structure allows the partitioning into bacterial membrane.
Therefore it is important to understand the mechanism of unfolding and
refolding of α-helical structure in antimicrobial peptides. It is not very easy to
obverse and study the process of unfolding and refolding of α-helical antimicrobial peptides because of their rapidity. Therefore,
molecular simulation provides a way to observe and explain this phenomenon.
Plantaricin A is a 26 amino-acid antimicrobial pheromone peptide and can
spontaneously unfold and refold under physiological condition. This study
demonstrated the unfolding and refolding of plantaricin A by means of molecular
simulation, and its mechanism was discussed with its implication to the
Levinthal paradox.
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