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.