Navigating in the Chemical Space of Peptides: Computational Strategies and Molecular Features to Unveil Their Functional and Drug-like Properties

Key Points

• The research aims to investigate the computational methods used to analyze peptide properties for functional and drug-like applications.
• Utilized computational strategies to analyze peptide structures.
• Assessed the functional properties of peptides through molecular features.
• Evaluated drug-like characteristics based on peptide composition and interaction.
• Identified key molecular features that enhance peptide functionality.
• Demonstrated that specific amino acid compositions increase drug-like properties.
• Uncovered potential peptides that could serve as effective drug candidates.