Daisuke Takaya

Osaka University

Japan

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Articles (10)

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2025

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2024

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2023

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2022

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2022

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2022

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2021

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2021

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2020

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2020

Collaborators (10)

Takaya Togo

Institute of Science Tokyo

JAPAN

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Koichiro Kato

Kyushu University

JAPAN

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Kaori Fukuzawa

Hoshi University

JAPAN

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Mamoru Niikura

School of Medicine, Kyorin University

JAPAN

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Ryusuke Niwa

Professor

University of Tsukuba

JAPAN

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Tatsuya Ohyama

Konan University

JAPAN

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Yu-Shi Tian

Osaka University

JAPAN

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Kazufumi Kunimura

Assistant Professor

Kyushu University

JAPAN

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Takehito Uruno

Associate Professor

Kyushu University

JAPAN

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Shigenori Tanaka

Kobe University

JAPAN

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Daisuke Takaya

Research Interests

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Articles (10)

A Dataset of Interaction Energies from FMO Calculations on Representative Protein Structures

Quantum chemical calculation dataset for representative protein folds by the fragment molecular orbital method

Quantum Chemical Interaction Analysis between SARS-CoV-2 Main Protease and Ensitrelvir Compared with Its Initial Screening Hit

Pharmacological intervention of cholesterol sulfate-mediated T cell exclusion promotes antitumor immunity

New antimalarials identified by a cell-based phenotypic approach: Structure-activity relationships of 2,3,4,9-tetrahydro-1H-β-carboline derivatives possessing a 2-((coumarin-5-yl)oxy)alkanoyl moiety.

Molecular action of larvicidal flavonoids on ecdysteroidogenic glutathione S-transferase Noppera-bo in Aedes aegypti

Special Features of COVID-19 in the FMODB: Fragment Molecular Orbital Calculations and Interaction Energy Analysis of SARS-CoV-2-Related Proteins

FMODB: The World’s First Database of Quantum Mechanical Calculations for Biomacromolecules Based on the Fragment Molecular Orbital Method

Interruption of Vif/Elongin C interaction: In silico and experimental elucidation of the underlying molecular mechanism of benzimidazole-based APOBEC3G stabilizers

Protein ligand interaction analysis against new CaMKK2 inhibitors by use of X-ray crystallography and the fragment molecular orbital (FMO) method

Collaborators (10)

Takaya Togo

Koichiro Kato

Kaori Fukuzawa

Mamoru Niikura

Ryusuke Niwa

Tatsuya Ohyama

Yu-Shi Tian

Kazufumi Kunimura

Takehito Uruno

Shigenori Tanaka

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