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G. Bekker

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Open access Jul 2026

Protein Data Bank Japan: A unified portal for integrating structural and chemical data to explore protein–ligand interactions in PDB and PubChem

A new PubChem Portal that enables interactive exploration of compound‐protein interactions and enhances access to biological insights through integrated visualization and analysis is developed.

G. Bekker, Chioko Nagao, Satomi Niwa et al. · 1 citation
Jul 2026

Comparative Assessment of DNA Force Fields for Small-Molecule Ligand Binding via Multicanonical MD-Based Dynamic Docking Simulations.

Evaluating modern AMBER-based parametrizations across diverse structural motifs, including aptamers, duplexes, and quadruplex-duplex hybrids, provides critical insights for developing next-generation DNA force fields capable of accurately modeling non-native structures and enabling balanced sampling essential for predi...

G. Bekker, Y. Fukunishi, Junichi Higo et al. · 0 citations

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