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Ishikita Lab
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The lab uses computation to uncover how proteins work, starting from their structures.

AboutAbout the lab
Exploring the origins of life from quantum and molecular perspectives
Using the molecular structures of proteins as a starting point, the Ishikita Lab conducts research that clarifies their functions and mechanisms through theoretical methods.
Proteins are built from a limited set of amino acids, yet they take a wide variety of shapes and perform many functions, such as transporting electrons and substances or acting as sensors.
Rather than simply calculating numerical values, the lab places importance on extracting the universal mechanisms underlying how proteins work.
With engineering applications in mind, another of the lab's research goals is to find design principles for functional molecules by studying processes such as photosynthesis.
Key terms
- Photoreceptor protein
- A protein that receives light and sends out a signal. It serves as a light sensor in the retina of the eye.
- Enzyme
- A protein that drives chemical reactions inside the body.
- Quantum chemical calculation
- A method that calculates the behavior of electrons based on quantum mechanics to investigate the properties and reactions of molecules.
- Molecular dynamics simulation
- A method that reproduces the motion of molecules by calculating the movement of each individual atom on a computer.
NewsLab news
Press release on research into whole-genome analysis and AI-based protein structure prediction
A doctoral student received the Graduate School of Engineering Dean's Award for their doctoral dissertation
A paper from the lab received the Biophysics and Physicobiology Paper Award
An undergraduate student received an Outstanding Presentation Award for their graduation thesis
Press release on research into the mechanisms of photodamage and repair in photosynthesis
ResearchResearch themes
The lab uses the molecular structures of proteins as a starting point to clarify their functions and mechanisms through theoretical methods. Alongside elucidating the mechanisms of photosynthesis and enzymes, it also takes on the challenge of developing new theoretical chemistry methods that serve as research tools.
*Illustrative imagePhotosynthesis and Light-Sensing Proteins
Making full use of a wide range of chemical tools, the lab investigates the reaction mechanisms of the proteins that drive photosynthesis in plants, as well as photoreceptor proteins that receive light in the retina of the eye and send out signals.
*Illustrative imageEnzymes and How Drugs Work
The lab investigates the mechanisms by which enzymes, which drive reactions inside the body, work, and what kinds of substances act effectively as drugs.
*Illustrative imageNew Methods in Theoretical Chemistry
By creatively combining quantum chemical calculations, molecular dynamics simulations, and machine learning, the lab develops methods to computationally determine molecular properties and the rates of chemical reactions that occur between molecules.
MembersFaculty
- ProfessorIshikita HiroshiPublications ↗
- Associate ProfessorKeisuke SaitoPublications ↗
- Assistant ProfessorNoji TomoyasuPublications ↗
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: “PhotosystemII” Neveu,Curtis / CC BY-SA 3.0 (cropped)
- Photosynthesis and Light-Sensing Proteins: “Rhodopsin 3D” Roland Deschain / Public domain (cropped)
- Enzymes and How Drugs Work: “PDB 1GXF” Boghog / CC BY-SA 4.0 (cropped)
- New Methods in Theoretical Chemistry: “Titan Supercomputer and Spallation Neutron Source Unite to Probe the Inner Workings of c-Src kinase” OLCF / CC BY 2.0 (cropped)
- Related lab (Noji Lab): “1qo1 stereo” Del45 / Public domain (cropped)
- Related lab (Tsukamoto Lab): “TEM image of gold nanoparticles and nanorods” Fionán / CC BY-SA 4.0 (cropped)
- Related lab (Suzuki-Yamashita Lab): “Alfa-Keggin” Quimiprof / CC BY-SA 4.0 (cropped)
- Related lab (Yanagida Lab): “Zinc Nanowires ( )” National Institute of Standards and Technology / Public domain (cropped)
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