[AIP Progress Report Meeting Series] RIKEN AIP Workshop on Molecular Informatics

This talk will be held in a hybrid format, both in person at AIP Open Space of RIKEN AIP (Nihonbashi office) and online by Zoom. AIP Open Space: *only available to AIP researchers.

DATE & TIME
May 29, 2025: 10:00 am - 4:45 pm (JST)

TITLE
RIKEN AIP Workshop on Molecular Informatics

Rapid development of artificial intelligence has been affecting molecular sciences profoundly.
Since 2016, molecular informatics team at RIKEN AIP has been working on developing AI
algorithms and applications to molecular biology, protein science, organic chemistry and
materials science. In this workshop, we invite our collaborators from Japan and abroad as
speakers to demonstrate the current achievements and discuss future plans.

PROGRAM
10:00 Koji Tsuda
Molecular informatics team: achievements and further ahead
10:30 Adnan Sljoka
Revealing the Invisible: Lifting the Curtain on Protein Allostery and Functional
Dynamics with Rigidity Theory and Reinforcement Learning (Toward AI Breakthroughs
Beyond AlphaFold)
11:00 Coffee Break
11:30 Masato Sumita
Generative AI and Inverse Problem in Chemistry
12:00 Lunch Meeting
13:00 R. Scott Prosser (University of Toronto)
Accessing the world of small molecule and nanobody discovery through allostery
14:00 Junichiro Shiomi (University of Tokyo)
Innovation of thermal functional materials by data science and automation
14:45 Coffee Break
15:15 Mitsuo Umetsu (Tohoku University)
Acceleration of antibody engineering pioneered by Machine-learning
16:00 Masanobu Naito (NIMS)
Data-driven polymer design toward circular economy system
16:45 End