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Mori Lab
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A theoretical chemistry lab that uses supercomputers to simulate the motion of molecules.
AboutAbout the lab
Exploring the world of complex molecules through computer simulation
The Mori Lab uses molecular dynamics simulations on supercomputers to study the motion of biomolecules such as proteins.
The lab aims to understand at the atomic level how molecules move and carry out their functions.
It is also developing methods for analyzing experimental data that combine molecular dynamics simulation with deep learning.
The lab is a theoretical one that does not conduct experiments involving chemicals, and every student is lent a laptop.
Key terms
- Molecular dynamics simulation
- A computational method that calculates the forces acting on atoms and tracks their motion to study molecular structural changes and interactions between molecules
- Membrane protein
- A protein in the cell membrane that forms a passageway for substances, such as a channel or a pump
- High-speed atomic force microscopy
- A microscope that can observe the motion of biomolecules at the molecular level in real time. The images contain noise and distortion
NewsLab news
Paper on high-speed AFM image analysis of proteins published in J. Chem. Inf. Model.; press release also issued
Paper on joint research with the Tsukazaki Lab at the Nara Institute of Science and Technology (NAIST) published in Science Advances
Paper on refinement of protein cryo-EM structures accepted by J. Chem. Inf. Model.
A master's student won a poster award at the Annual Meeting of the Protein Society of Japan
Paper on joint research with the Tsukazaki Lab at NAIST and the Uchihashi Lab at Nagoya University published in Nature Communications
ResearchResearch themes
The Mori Lab aims at next-generation theoretical chemistry research that, with chemistry at its core, integrates biology, physics, computation, and informatics using supercomputers and AI. It mainly tackles problems in biochemistry, medicinal chemistry, and environmental chemistry.
*Illustrative imageElucidating the mechanisms of biological functions at the atomic level
Focusing on membrane proteins such as channels and pumps that form passageways for substances in the cell membrane, the lab uses molecular dynamics simulations to predict and visualize the structural dynamics of proteins. It aims to understand their operating principles and how their functions arise.
*Illustrative imageAnalyzing experimental data with simulation and AI
The lab analyzes cryo-electron microscopy and high-speed atomic force microscopy data using computational science and information science. By combining molecular dynamics simulation with deep learning, it is developing software that estimates structural changes and dynamics of proteins.
MembersFaculty
The members of the Mori Lab are faculty and master's and undergraduate students.As of 2026
- Associate ProfessorTakaharu Mori
VoicesStudent voices
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Report an errorAbout the images
The top and research theme images are illustrative and were not taken at the lab. They are cropped from Wikimedia Commons images. Cropped CC BY-SA images are provided under the same CC BY-SA license as the original (version shown on each line).
- Top image: “Jaguar Supercomputer ( )” Oak Ridge National Laboratory / CC BY 2.0 (cropped)
- Elucidating the mechanisms of biological functions at the atomic level: “Molecular model of the pre-pore form of a MACPF protein based upon the structure of pneunolysin” Jcwhizz at English Wikipedia / CC BY-SA 3.0 (cropped)
- Analyzing experimental data with simulation and AI: “Dutch national supercomputer "Huygens"” Dennis van Zuijlekom / CC BY-SA 2.0 (cropped)
- Related lab (渡辺研究室): “Nanocubes” Clarisse23000 / CC BY-SA 4.0 (cropped)
- Related lab (由井研究室): “U.S. Department of Energy - Science - )” U.S. Department of Energy from United States / Public domain (cropped)
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