title: Exploring the structural stability of a potential antifungal peptide through computational analysis.
abstract: 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.
authors.affiliation: School of Biotechnology, Chemical and Biomedical Engineering, Bioinformatics Division, Vellore Institute of Technology University, Tamil Nadu, India.
authors.forename: R
authors.initials: R
authors.lastname: Rajasekaran
authors.forename: Rao
authors.initials: R
authors.lastname: Sethumadhavan
mesh_terms: D000935:Antifungal Agents / Q000737:chemistry*; D023181:Antimicrobial Cationic Peptides / Q000737:chemistry*; D019295:Computational Biology / Q000379:methods*; D030562:Databases, Protein; D011487:Protein Conformation; D055550:Protein Stability; D013816:Thermodynamics
chemical_list: D000935:Antifungal Agents; D023181:Antimicrobial Cationic Peptides