PTMdyna

PTMdyna predicts the impact of post-translational modifications (PTMs) on protein conformational dynamics and visualizes resulting differences to aid interpretation of PTM-driven structural changes.

Key Features:

• Conformational Dynamics Prediction: Provides visual predictions of conformational dynamics differences between unmodified and modified proteins.
• High Accuracy: Demonstrated predictive performance with an Area Under the Curve (AUC) of 0.884 on a dataset of 220 protein-protein complex structures.
• Case Study Validation: Applicability demonstrated using heterochromatin protein 1α complexed with lysine 9-methylated histone H3, a modification relevant to genomic stability and cell differentiation.

Scientific Applications:

• Functional Interpretation: Predicts how PTMs affect protein dynamics to support interpretation of functional implications at the molecular level.
• Genomics and Proteomics: Supports analysis of PTM-driven structural changes relevant to genomics and proteomics studies.
• Cellular Biology: Facilitates investigation of protein regulation and PTM roles in cellular biology contexts.

Methodology:

Computationally predicts and visualizes differences in conformational dynamics between unmodified and post-translationally modified proteins.