Protein-Complex Dynamics, Local Contributions and FEL Review
Graphical abstract
Summary
Representative conformations are reviewed through trajectory stability, interface contacts, local energetic contributions and FEL projections. The graphical abstract integrates interface poses, dynamic changes and local contributions across the complex states. The results establish clear priorities for representative models and key interface regions. The result-focused presentation supports efficient review of the main evidence and research priorities.
Computational results
Computational Results
This figure presents the principal structures and trends in “Computational Results” and connects them to the case-level ranking and result interpretation.
MM-GBSA results
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| System name | RHOBTB3-PA |
|---|---|
| ΔEvdW | -100.37±6.89 |
| ΔEelec | -1182.83±42.52 |
| ΔGGB | 1238.01±39.39 |
| ΔGSA | -15.86±1.42 |
| ΔGbind | -61.04±5.37 |
This table consolidates the key comparisons in “MM-GBSA results”, making differences across conditions and candidates directly reviewable.
Full case PDF
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