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3 results in Authors: Taihei Oki

Theoretical and Computational Chemistry

Linking Virtual and Real Worlds: Mathematical Framework to Identify Optimal Molecule based on Virtual Ligand Strategy

Wataru Matsuoka, Ken Hirose, Ren Yamada, Taihei Oki, Satoru Iwata, Satoshi Maeda

Version 1 posted 28 March 2025

57

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Theoretical and Computational Chemistry

Differentiating the yield of chemical reactions using parameters in first-order kinetic equations to identify elementary steps that control the reactivity from complicated reaction path networks

Yu Harabuchi, Tomohiko Yokoyama, Wataru Matsuoka, Taihei Oki, Satoru Iwata, Satoshi Maeda

Version 1 posted 14 December 2023

195

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Organic Chemistry

Virtual Ligand-Assisted Optimization: A Rational Strategy for Ligand Engineering

Wataru Matsuoka, Taihei Oki, Ren Yamada, Tomohiko Yokoyama, Shinichi Suda, Yu Harabuchi, Satoru Iwata, Satoshi Maeda

Version 1 posted 25 April 2024

326

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