Key parameters for accurate chiral folding and mechanics in Gō-like coarse-grained potentials
We developed a refined Gō-like coarse-grained framework with overlaid potentials, dihedrals, impropers, and sidechain interactions. Compared with conventional integrations of Gō-like potentials with physics-based coarse-grained models, the framework improves folding accuracy and mechanical response, particularly for proteins with complex motifs, enabling reliable capture of structural fidelity and folding.
Authors
- Chi‐cheng Chiu (ORCID: https://orcid.org/0000-0003-2385-6947)
- Yi-Chen Tsai (ORCID: https://orcid.org/0000-0001-5649-1636)
Institutions
- National Cheng Kung University (TW)
Publication Details
- Journal
- Physical Chemistry Chemical Physics
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d5cp03399c
- Primary Topic
- Supramolecular Self-Assembly in Materials
- Type
- article
- Field-Weighted Citation Impact
- 0.00