Gert-Jan Bekker

22PUBLICATIONS
42CO-AUTHORS
Biomolecular modelling and designData models, storage and indexingData mining and knowledge discoveryComputational chemistryApplied immunology (incl. antibody engineering, xenotransplantation and t-cell therapies)
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Publications (22)

|Jul 27, 2026
Comparative Assessment of DNA Force Fields for Small-Molecule Ligand Binding via Multicanonical MD-Based Dynamic Docking Simulations.

|Jul 17, 2026
Protein Data Bank (PDB) Archive: a new architecture (beta) for scalable, PDBx/mmCIF-based data distribution.

|Jul 09, 2026
Protein Data Bank Japan: A unified portal for integrating structural and chemical data to explore protein-ligand interactions in PDB and PubChem.

|Jun 01, 2026
Stability-Driven Pose Prediction and Ligand Design via Contact Persistence Analysis from Molecular Dynamics Simulations.

|Feb 10, 2026
Elucidating Ligand Charge Effects in MR1 Cell-Surface Translocation Using Molecular Simulations.

Toshiki Fujii, Mitsugu Araki, Shigeyuki Matsumoto

|Nov 27, 2025
Molecular recognition of natural compounds by MR1 and their implication in MAIT cell activation elucidated through McMD-based dynamic docking simulations.

Gert-Jan Bekker, Mitsugu Araki, Kanji Oshima

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Frequent Collaborators

14 joint publications

Narutoshi Kamiya

8 joint publications

Mitsugu Araki

4 joint publications

Genji Kurisu

3 joint publications

Yasushi Okuno