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Report caseHS-CASE-0027Protein complexes

Protein–Protein Complex Dynamics and Interface Stability Review

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  1. 01Graphical abstract
  2. 02Summary
  3. 03Computational results
  4. 04Full case
GRAPHICAL ABSTRACT

Graphical abstract

SUMMARY

Summary

Trajectory stability, interface contacts, local energetic contributions and free-energy landscape projections jointly describe the principal states of the protein complex. 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.

SELECTED RESULTS

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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Result table
System nameTarget A-Target B
ΔEvdW-195.39±8.23
ΔEelec-243.52±51.84
ΔGGB358.11±43.40
ΔGSA-30.31±0.69
ΔGbind-111.11±7.04

This table consolidates the key comparisons in “MM-GBSA results”, making differences across conditions and candidates directly reviewable.

HS-CASE-0027

Full case PDF

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HS-CASE-0027

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WeChat
15180188921
Case ID
HS-CASE-0027

01 / 05
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