Luncheon Seminar and Presentations at the CBI Annual Meeting 2026

Matlantis Corporation will give a talk and a poster presentation at theChem-Bio Informatics Society (CBI) Annual Meeting 2026, to be held at Tower Hall Funabori (Edogawa, Tokyo) on Monday, October 26 – Thursday, October 29, 2026.

The CBI Annual Meeting is an academic conference featuring research across a broad range of fields at the intersection of chemistry, life sciences, and informatics, including computational chemistry, bioinformatics, data science, and AI-driven drug discovery.

【Matlantis Poster Presentation】

■ Catalytic Mechanism and Mutational Effects of PETase: Whole-Enzyme Reactive Free-Energy Simulations with a Universal Machine Learning Interatomic Potential

Date and Time (Duty Time): Tuesday, October 27, 2026, 16:00 – 17:00 (JST) and Wednesday, October 28, 2026, 17:00 – 18:00 (JST)
Venue:1F Exhibition Hall
Presentation No.: P01-01
Presenter:  Masataka Yamauchi (Matlantis Corporation)

Overview

We will report our analysis of the catalytic mechanism of PETase, a PET-degrading enzyme, and the effects of mutations on it. The analysis uses whole-enzyme reactive free-energy simulations with a universal machine learning interatomic potential.

【Matlantis Luncheon Seminar】

■ Revolutionizing Drug Discovery with Computational Science and Machine Learning

Date and Time: Wednesday, October 28, 2026, 12:15 – 13:15 (JST)
Venue: 2F, Fukuju
Seminar No.: LS06
Co-hosts: Preferred Networks, Inc. and Matlantis Corporation
Moderator: Tomomi Horikawa (Preferred Networks, Inc.)
Talks: LS06-02 "Matlantis for Bio Science: Frontiers in Drug Discovery and Biomolecular Simulations with Machine Learning Interatomic Potentials," Masataka Yamauchi (Matlantis Corporation)

Overview

We will present drug discovery and life science use cases of Matlantis™, its atomistic simulation platform. These use cases include conformational search, organic crystal structure prediction, protein–ligand interaction calculations, and enzymatic reaction simulations.

【Matlantis Oral Presentation】

■ Enzymatic Reaction Simulations with Universal Machine Learning Potentials: Expanding from Materials to the Bio Sciences

Date and Time:  Thursday, October 29, 2026, 14:00 – 15:30 (JST) 
Venue: Room 406
Presentation No.:FS13-03
Presenter: Masataka Yamauchi (Matlantis Corporation)

Overview

We will present a study on simulating the hydrolysis reaction of the PET-degrading enzyme PETase in solvent, performed using the universal machine learning interatomic potential, Matlantis PFP, without multiscale partitioning such as QM/MM or MLIP/MM. We will show that Matlantis PFP, originally developed for materials science, can be directly applied to enzymatic reactions and protein engineering without fine-tuning, and discuss its potential applications in future AI-driven drug discovery and enzyme design.

[Exhibition Booth Information]

At Preferred Networks, Inc. booth, we'll also be showcasing Matlantis brochures and posters. Please stop by when you visit the event.

Venue: 1F Exhibition Hall
Booth number: 12

We look forward to seeing you and discussing our work at the venue.