Yu Takano

18PUBLICATIONS
30CO-AUTHORS
Metal cluster chemistryFree radical chemistryMain group metal chemistryBiological network analysisTheoretical quantum chemistry
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Publications (18)

|Jul 23, 2025
Reduction-Induced Structural and Motional Changes of Plant-Type Ferredoxin Using Molecular Dynamics and Umbrella Sampling Simulations.

Tomoki Nakayoshi, Yusuke Ohnishi, Hideaki Tanaka

|Dec 23, 2023
Computational Exploration of Minimum Energy Reaction Pathway of N2O Formation from Intermediate I of P450nor Using an Active Center Model.

Yusuke Kanematsu, Hiroko X Kondo, Yu Takano

|Mar 29, 2023
Unraveling Binding Mechanism and Stability of Urease Inhibitors: A QM/MM MD Study.

Shunya Suenaga, Yu Takano, Toru Saito

|Jan 21, 2023
Prediction of Protein Function from Tertiary Structure of the Active Site in Heme Proteins by Convolutional Neural Network.

Hiroko X Kondo, Hiroyuki Iizuka, Gen Masumoto

|Jan 20, 2023
Quantum chemical studies on hydrogen bonds in helical secondary structures.

Yu Takano, Hiroko X Kondo, Haruki Nakamura

|Dec 23, 2022
Effects of Active-Center Reduction of Plant-Type Ferredoxin on Its Structure and Dynamics: Computational Analysis Using Molecular Dynamics Simulations.

Tomoki Nakayoshi, Yusuke Ohnishi, Hideaki Tanaka

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Frequent Collaborators

10 joint publications

Hiroko X Kondo

4 joint publications

Yusuke Kanematsu

3 joint publications

Toru Saito

3 joint publications

Haruki Nakamura