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S. Matsumoto

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Open access Aug 2026

Resolution-standardized evaluation of ligand atomic coordinates in crystallographic structures using machine learning

The aBCC provides a common framework for assessing and communicating the local coordinate reliability between structural biologists and researchers in structure-based drug discovery and provide a foundation for further development and refinement of machine learning-based coordinate validation.

I. Miyaguchi, H. Hata, Takaaki Kuribayashi et al. · 0 citations
Open access Jul 2026

HELM-BERT: Topology-Aware Representations for Chemically Modified Peptides

These findings suggest that pretraining directly on notation that makes structural constraints explicit offers a transferable strategy for biomolecular modalities that fall between small-molecule chemistry and protein sequence.

Seungeon Lee, Takuto Koyama, Itsuki Maeda et al. · 0 citations

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