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.

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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
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article

Key parameters for accurate chiral folding and mechanics in Gō-like coarse-grained potentials

Chi‐cheng Chiu, Yi-Chen Tsai
Physical Chemistry Chemical Physics
Supramolecular Self-Assembly in Materials
article

Key parameters for accurate chiral folding and mechanics in Gō-like coarse-grained potentials

Chi‐cheng Chiu, Yi-Chen Tsai
article en

Abstract

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.

Physical Chemistry Chemical PhysicsVol. 27(47)
National Cheng Kung University (TW)
Openalex Percentile: Top 78%
Supramolecular Self-Assembly in Materials
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