Author

M. Ikeguchi

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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. · bioRxiv · 0 citations

Open access Aug 2026

The Biosynthesis of a Fungal Flavonoid, Chlorflavonin, Precisely Controlled by Two Types of Equilibrium States

Flavonoids are polyphenolic natural products predominantly isolated from plants and exhibit a diverse array of biological activities. Because they serve as important pharmaceuticals and nutraceuticals, there is a strong demand for their sustainable supply. Chlorflavonin is a rare fungal flavonoid with potent antituberc...

Sho Furumura, T. Ozaki, Kazuya Hasegawa et al. · Journal of the American Chem... · 0 citations

Open access Aug 2026

Development of force-field corrections for the RNA A-bulge motif

GHBfix-18Ab, an 18-component hydrogen-bond correction that distinguishes NH and NH□ donors, is developed, demonstrating that targeted refinement of hydrogen-bond interactions provides a practical strategy for systematic improvement of RNA force fields toward more accurate modeling of noncanonical RNA motifs.

Takafumi Kudo, Toru Ekimoto, Tsutomu Yamane et al. · bioRxiv · 0 citations