讲座报名预约开放：MOE 2024亚太用户会

September 12^{th (Thursday)}

Time

Title

Speaker

Language

9:00 - 9:10

Opening remarks

Atsushi Kanou, 

MOLSIS Inc.

Japanese

9:10 - 9:30

MOE Overview

Taiki Hisatomi, 

MOLSIS Inc.

Japanese

9:30 - 10:00

Applying Pharmacophores to PPIs

(Abstract )

Chris Williams,

Chemical Computing Group ULC

English

10:00 - 10:30

AmberEHT Forcefield: Novel Approaches to Small Molecule Parameterization

(Abstract )

Paul Labute,

Chemical Computing Group ULC

English

10:30 - 11:00

MOE and PSILO 2024 Release Overview

TBD

Chemical Computing Group ULC

English

11:00 - 12:00

Break

－

－

12:00 - 12:30

[Invited talk]

Accelerating Structure-Based Peptide Design Using MOE

(Abstract )

Tatsuya Niimi,

PeptiDream Inc.

Japanese

12:30 - 13:00

[Invited talk]

Three Dimensional Structure Prediction of Soybean Raffinose Synthase 2

(Abstract )

Miki Maeda,

National Agriculture and Food Research Organization

Japanese

13:00 - 13:30

[Invited talk]

Building Block-based Mega-size Interactive Chemical Space using AI

(Abstract )

Jiaqi Hu,

PharmaBlock Inc.

Chinese

13:30 - 13:45

Break

－

－

13:45 - 14:15

PROTAC Linker Design Using Structural Information

Masahito Ohue,

Tokyo Institute of Technology

Japanese

14:15 - 14:45

MOE Interface Development for MD Calculation Software "GENESIS"

(Abstract )

Yuki Miyaguchi,

MOLSIS Inc.

Japanese

14:45 - 15:15

Development of Physicochemical Property Risk Evaluation Method of Antibody Therapeutics by Computational Chemistry and Its Application to Physicochemical Property Improvement

(Abstract )

Kazunori Hirayama,

Chugai Pharmaceutical Co., Ltd.

Japanese

15:15 - 15:30

Break

－

－

15:30 - 16:00

Extracting Ligand Design Information from 3D Database of Protein-ligand Complexes: A Case Study Utilizing 3D Geometry Search Function of PSILO/MOE

(Abstract )

Tatsuo Akaki,

Japan Tobacco Inc.

Japanese

16:00 - 16:45

MOE and PSILO Demonstration

Koichi Abe,

MOLSIS Inc.

Japanese

16:45

Closing

Takashi Ikegami,

MOLSIS Inc.

Japanese

16:45 - 17:45

Posters, Demonstration and Networking(At VoicePing virtual space)

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