Yuto Komeiji

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Guest Professor

Osaka University

Japan

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About

Yuto Komeiji is a Guest Professor at Osaka University in Japan. His research primarily focuses on molecular dynamics, computational chemistry, and the interaction analyses of SARS-CoV-2 proteins, utilizing fragment molecular orbital methods. Recent publications include studies on the binding affinity of drugs, the influence of electrostatic potentials in molecular simulations, and cooperative interactions in viral spike proteins.

Recent Grants

Grant: Close

Microscopic Analysis of Dynamics-Controlled Organic Reactions

Open Date: 2010-04-01

Close Date: 2014-03-31

Grant: Close

Electronic structure calculations on K^+ ion channel protein

Open Date: 2002-01-01

Close Date: 2003-12-31

Articles (10)

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2024

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2024

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2022

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2022

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2021

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2021

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2021

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2021

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2021

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2021

Collaborators (6)

Kaori Fukuzawa

Hoshi University

JAPAN

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Etsuo Yonemochi

Professor

JAPAN

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Yuji Mochizuki

Professor

Ritsumeikan University

JAPAN

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Koji Okuwaki

Assistant Professor

Ritsumeikan University

JAPAN

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Takayuki Furuishi

Assistant Professor

JAPAN

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Shigenori Tanaka

Kobe University

JAPAN

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Yuto Komeiji

Research Interests

Explore related searches

Contact this professor

About

Recent Grants

Articles (10)

Prediction of Binding Pose and Affinity of Nelfinavir, a SARS-CoV-2 Main Protease Repositioned Drug, by Combining Docking, Molecular Dynamics, and Fragment Molecular Orbital Calculations

Acceleration of Environmental Electrostatic Potential Using Cholesky Decomposition with Adaptive Metric (CDAM) for Fragment Molecular Orbital-based Molecular Dynamics (FMO-MD) Simulation

Collective residue interactions in trimer complexes of SARS-CoV-2 spike proteins analyzed by fragment molecular orbital method

Thermal and Quantum Fluctuations of Harmonic Oscillator

Fragment molecular orbital based interaction analyses on complexes between SARS-CoV-2 RBD variants and ACE2

Dynamic Cooperativity of Ligand–Residue Interactions Evaluated with the Fragment Molecular Orbital Method

Statistical interaction analyses between SARS-CoV-2 main protease and inhibitor N3 by combining molecular dynamics simulation and fragment molecular orbital calculation

Interaction analyses of SARS-CoV-2 spike protein based on fragment molecular orbital calculations

Ca2+-ATPase Molecules as a Calcium-Sensitive Membrane-Endoskeleton of Sarcoplasmic Reticulum

Acceleration of Environmental Electrostatic Potential Using Cholesky Decomposition with Adaptive Metric (CDAM) for Fragment Molecular Orbital (FMO) Method

Collaborators (6)

Kaori Fukuzawa

Etsuo Yonemochi

Yuji Mochizuki

Koji Okuwaki

Takayuki Furuishi

Shigenori Tanaka

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