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

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.