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Updated: Aug 5, 2026
06:26
Orientational Transition in a Liquid Crystal Triggered by the Thermodynamic Growth of Interfacial Wetting Sheets
Published on: May 15, 2017
Computational Study of Terahertz-Induced Phase Transitions at Molecular Interfaces
Chenzhi Tang1, Dexing Shen1, Zhi Du1
1School of Electronic and Information Engineering, Anhui University, Hefei 230601, China.
Research (Washington, D.C.)
|July 29, 2026
Summary
Terahertz light offers a novel, noninvasive method to control protein interactions. This physical approach reversibly modulates macromolecular interfaces, showing promise for targeted cancer immunotherapy.
Area of Science:
- Biophysics
- Computational Biology
- Immunotherapy
Background:
- Protein interactions are crucial for physiological processes and therapeutic targets.
- Current methods for modulating protein interfaces have limitations, including invasiveness and poor tissue penetration.
Purpose of the Study:
- To investigate terahertz light as a noninvasive physical modality for inducing structural phase transitions at protein interfaces.
- To computationally explore the mechanism of terahertz light in modulating protein-ligand binding affinity.
Main Methods:
- Molecular dynamics simulations of the programmed cell death protein 1/programmed cell death 1 ligand 2 complex.
- Energetic analyses to quantify changes in binding affinity and free energy barriers.
Main Results:
- Terahertz light (40.2 THz) was identified as a reversible, nonthermal inducer of structural phase transitions.
- Terahertz field application decreased binding affinity by over 3-fold and reduced the free energy barrier by nearly 3-fold.
- The decoupling mechanism was attributed to coherent resonance of key interfacial residues.
Conclusions:
- Terahertz light presents a universal physical strategy for modulating macromolecular interfaces.
- This approach offers a noninvasive alternative for targeted cancer immunotherapy.
- A computational framework is provided for guiding experimental validation.
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