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PreprintLicence not statedChemRxiv

pdb2reaction: End-to-End Reaction-Path Elucidation from PDB Structures Using Machine-Learning Interatomic Potentials

  • Takuto Ohmura1
  • Hajime Sato1
  • Tohru Terada1
  1. 1Department of Biotechnology, Graduate School of Agricultural and Life Sciences, The University of Tokyo, 1-1-1 Yayoi, Bunkyo-Ku, Tokyo, Japan, 113-8657
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BibTeX
@misc{ohmura2026pdb2reaction,
  title = {{pdb2reaction: End-to-End Reaction-Path Elucidation from PDB Structures Using Machine-Learning Interatomic Potentials}},
  author = {Takuto Ohmura and Hajime Sato and Tohru Terada},
  howpublished = {ChemRxiv},
  year = {2026},
  month = sep,
  doi = {10.26434/chemrxiv.15003538/v2},
  url = {https://chemrxiv.org/doi/full/10.26434/chemrxiv.15003538/v2},
}
RIS
TY  - UNPB
TI  - pdb2reaction: End-to-End Reaction-Path Elucidation from PDB Structures Using Machine-Learning Interatomic Potentials
AU  - Takuto Ohmura
AU  - Hajime Sato
AU  - Tohru Terada
PY  - 2026
DA  - 2026/09/06
PB  - ChemRxiv
DO  - 10.26434/chemrxiv.15003538/v2
UR  - https://chemrxiv.org/doi/full/10.26434/chemrxiv.15003538/v2
ER  -