9月11日 

Time

Title

Speaker

9:00 - 9:10

Opening Remarks

Atsushi Kanou,

MOLSIS Inc.

9:10 - 09:30

Overview of MOE and PSILO

Taiki Hisatomi,

MOLSIS Inc.

09:30 - 10:00

Predicting Protein-Ligand Affinity by Machine Learning: Applicability and Importance of Data Sources

(Abstract)

Akitoshi Okada,

Daiichi Sankyo Co., Ltd.

10:00 - 10:30

Research on Developability and Manufacturability for Antibody Therapeutics

(Abstract)

Masayoshi Onitsuka,

Tokushima University

10:30 -11:00  

In Silico Modeling of Protein-Degrader Mediated Ternary Complexes and Screening of Bifunctional Degrader Designs

(Abstract)

Markus Kossner,

Chemical Computing Group

11:00 - 12:00

Lunch

－

12:00 - 12:30

Application of MOE in Drug Discovery Stage Physicochemical Evaluation of Antibody Therapeutics

(Abstract)

Takuya Shimomura,

Astellas Pharma Inc.

12:30 - 13:00

MOE-Based AI Workflow for Small-Molecule Drug Discovery — Integration with REINVENT4, AiZynthFinder, and ADMET-AI

(Abstract)

Yoshirou Kimura,

MOLSIS Inc.

13:00 - 13:30

Leveraging MOE to Accelerate Academic Drug Discovery: Applications and Know-How Sharing

(Abstract)

Hideyuki Shimizu,

Institute of Science Tokyo

13:30 - 14:00

Mastering Water Molecules: From 3D-RISM to HydraMap

(Abstract)

Yan Li,

Fudan University

14:00 - 14:20

Break

－

14:20 - 14:50

Applications of MOE to Molecular Simulation Data Analysis and RNA G-Quadruplex-Targeted Drug Discovery

Takatsugu Hirokawa,

University of Tsukuba

14:50 - 15:20

MOE and PSILO Next Release Overview

Alain Ajamian,

Chemical Computing Group

15:20 - 16:00

MOE and PSILO Demonstration

Yuki Miyaguchi,

MOLSIS Inc.

16:00 - 16:10

Closing Remarks

－