Shin-Ichi Koda

7PUBLICATIONS
12CO-AUTHORS
Formal methods for softwareBiomolecular modelling and designEnergy generation, conversion and storage (excl. chemical and electrical)Computational chemistryChemical thermodynamics and energetics
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Publications (7)

|May 04, 2026
dmf-g16: A Gaussian Wrapper for Reliable Double-Ended Transition-State Searches With Native Input Formats.

|Jan 02, 2026
Osimertinib's Proton-Catalyzed, Pseudoconcerted EGFR Inhibition Guides Next-Generation Inhibitor Design.

Akihiro Kondo, Kazuhiro J Fujimoto, Shin-Ichi Koda

|Mar 19, 2025
Correlated Flat-Bottom Elastic Network Model for Improved Bond Rearrangement in Reaction Paths.

Shin-Ichi Koda, Shinji Saito

|Aug 16, 2024
Flat-Bottom Elastic Network Model for Generating Improved Plausible Reaction Paths.

Shin-Ichi Koda, Shinji Saito

|Mar 21, 2024
Locating Transition States by Variational Reaction Path Optimization with an Energy-Derivative-Free Objective Function.

Shin-Ichi Koda, Shinji Saito

|May 04, 2022
Regulation mechanisms of the dual ATPase in KaiC.

Yoshihiko Furuike, Atsushi Mukaiyama, Shin-Ichi Koda

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Frequent Collaborators

7 joint publications

Shinji Saito

1 joint publications

Yoshihiko Furuike

1 joint publications

Atsushi Mukaiyama

1 joint publications

Damien Simon