PCA & DCCM Analysis
Revealing the Hidden Language of Molecular Motion
Proteins are not rigid entities — they breathe, twist, shift, and communicate internally through orchestrated motions.
Understanding these large-scale dynamics is key to decoding allostery, conformational switching, and domain coordination.
At code2fold, we use Principal Component Analysis (PCA) and Dynamic Cross-Correlation Matrices (DCCM) to uncover the deep, collective movements that govern molecular function.
🔍 Why PCA and DCCM Matter
Traditional analyses like RMSD and RMSF give you a snapshot of local or global changes — but they don’t tell the full story.
- PCA simplifies complex trajectories into dominant motions — revealing how the molecule moves as a whole.
- DCCM identifies residue pairs that move in sync (or in opposition), providing insights into allosteric coupling, inter-domain signaling, and mechanistic pathways.
Together, these tools expose the underlying architecture of motion that static structures and basic metrics often miss.
🧪 What Code2fold Delivers
Our advanced dynamic analysis package includes:
- Principal component decomposition to extract dominant motions
- 3D visualizations of conformational transitions along principal axes
- Dynamic cross-correlation matrices with heatmaps and network graphs
- Identification of functionally coupled residues or domains
- Comparison of mutant vs wild-type or ligand-bound vs apo states
- Trajectory movies highlighting large-scale dynamic shifts
Whether you’re studying allostery, catalysis, or molecular switching — we deliver the motion map behind the mechanism.
💡 Why Choose Code2fold?
At code2fold, we go beyond data generation —
We translate molecular movement into mechanistic insight.
Our PCA and DCCM analyses are tailored to your protein system and your scientific question, making even the most complex dynamics interpretable and actionable.
From fundamental research to drug discovery, understanding how molecules move is just as critical as knowing what they are — and that’s where we come in.
📩 Ready to Uncover Hidden Motions?
Let’s explore the inner choreography of your protein system.
Reach out today for high-resolution dynamic analysis that makes motion meaningful.