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Exploring the Structural Stability of a Potential Antifungal Peptide Through Computational Analysis

[ Vol. 16 , Issue. 11 ]


R. Rajasekaran and Rao Sethumadhavan   Pages 1386 - 1392 ( 7 )


We analyzed 27 antifungal peptides (AFPs) to understand their stability by various parameters like, stabilization centers, GROMOS, OPLS and FOLDEF force fields. Subsequently, we propose that AFP, NK-Lysin could be considered a potential candidate and also could act as a template for designing the therapeutic peptide drug against pathogenic fungi.


NK-Lysin, stabilization centers, total energy, cation-π, intra-molecular interactions, free energy change


Bioinformatics Division, School of Biotechnology Chemical and Biomedical Engineering, VIT University, Tamilnadu, India.

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