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

Research output: Contribution to journal › Article › peer-review

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.

Original languageEnglish
Pages (from-to)25271-25275
Number of pages5
JournalPhysical Chemistry Chemical Physics
Volume27
Issue number47
DOIs
Publication statusPublished - 2025 Dec 21

All Science Journal Classification (ASJC) codes

  • General Physics and Astronomy
  • Physical and Theoretical Chemistry

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