Day 0 (Thursday, October 23)

14:00 - 18:00

Check-in & Registration

Day 1 (Friday, October 24)

08:00 - 09:00

On-site Registration

09:00 - 09:10

Opening Remarks

Session 1: Computational Biophysics I      

Chairs: Peter BOND & Yi WANG

09:10 - 09:30

Alan MARK, The University of Queensland

Crossing the Biological Membrane

09:30 - 09:50

Yi WANG, The Chinese University of Hong Kong

Membrane Permeation Probed by Molecular Simulations

09:50 - 10:10

Kei-ichi OKAZAKI, Institute for Molecular Science

Molecular Simulation of Functional Motions in Biomolecular Machines Facilitated by AlphaFold and Coarse-Grained Model

10:10 - 10:30

Jaewoon JUNG, RIKEN R-CCS

Improved Molecular Dynamics Integration for Accurate Biomolecular Simulations

10:30 - 10:50

Break & Poster Session

10:50 - 11:10

Peter BOND, A*STAR Research

Harnessing Multiscale Simulations to Combat Infectious Diseases

11:10 - 11:30

Ai SHINOBU, The University of Osaka

Molecular Simulations of Kinase Recognition Across Scales

11:30 - 11:50

Yajun JIANG, Nanjing University

Dynamic Chaperone Action: Conformational Shifts Underlie Hsp40 Function

11:50 – 12:10

Xiakun CHU, The Hong Kong University of Science and Technology (Guangzhou)

DNA Actively Regulates the “Safety-Belt” Dynamics of Condensin During Loop Extrusion

12:10 - 14:00

Lunch

14:00 - 20:50

Free Discussion & Banquet

Day 2 (Saturday, October 25)

08:00-08:30

On-site Registration

Session 2: Cutting-Edge Biophysics

Chairs: Guowei YIN & Yuji SUGITA

08:30 - 09:00

Huan-Xiang ZHOU, University of Illinois Chicago

Sequence-Based Predictions on Intrinsically Disordered Proteins: from Backbone Dynamics to Phase Separation

09:00 - 09:20

Yuji SUGITA, RIKEN

Multi-Scale Simulations of Biomolecular Condensate Regulations

09:20 - 09:40

Kai HUANG, Shenzhen Bay Laboratory

Scaling Proofreading by Active Liquid-Liquid Phase Separation

09:40 - 10:00

YounJoon JUNG, Seoul National University

Dynamical Phase Transitions in Stochastic and Atomistic Systems

10:00 - 10:20

Wonpil IM, Lehigh University

One Step Toward Molecular Modeling and Simulation of the Mycobacteria Cell Envelope

10:20 - 10:40

Break & Group Photo

10:40 - 11:00

Chun TANG, Peking University

Navigating Protein Conformational Space with Sparse Distance Restraints

11:00 - 11:20

Hahnbeom PARK, Korea Institute of Science and Technology

Principle Guided AIs for Structure Based Drug Discovery

11:20 - 11:40

Yoonji LEE, Chung-Ang University

Exploring Molecular Signature of TM4SF5 Assembly and Interactions Through Structure Prediction and Molecular Simulations

11:40 - 12:00

Guowei YIN, Sun Yat-sen University

Probing Intracellular Interactions of Dopamine Transporter

12:00 - 12:15

Tianjie LI, The Chinese University of Hong Kong

Simulation of Gelatin-Based Coacervation with an Adapted Coarse-Grained Model

12:15 – 14:00

Lunch

Session 3: Structural Prediction & Protein Design

Chairs: Chang Yun SON & Yaoqi ZHOU

14:00 - 14:20

Yaoqi ZHOU, Shenzhen Bay Laboratory

Protein and RNA Structure Prediction: Beyond AlphaFold

14:20 - 14:40

Kyogo KAWAGUCHI, RIKEN PRI

Physics and Grammar of Biological Heteropolymers

14:40 - 14:55

Weiwei HE, New York University

Decoding RNA Structure and Folding Dynamics with Atomistic Simulations and Machine Learning

14:55 - 15:15

Break & Poster Session

15:15 – 15:35

Chang Yun SON, Seoul National University

Molecular Anchors at Lipid Interfaces: Computational Strategies for Controlling Membrane Function

15:35 - 15:55

Gyu Rie LEE, Korea Advanced Institute of Science and Technology

De Novo Design of Protein and Chemical Interactions Using Deep-Learning

15:55 - 16:15

Sangmin LEE, Pohang University of Science and Technology

De Novo Design of Functional Protein Complexes Using Generative Models

16:15 - 16:30

Ruihan DONG, Peking University

Painting Peptides with Antimicrobial Potency through Deep Reinforcement Learning

16:30 - 17:40

SMART Tour

Day 3 (Sunday, October 26)

08:00-08:30

On-site Registration

Session 4: Biophysics and Drug Discovery

Chairs: Ying-Chih CHIANG & Sheng WANG

08:30 - 08:50

Sheng WANG, Shanghai Institute of Biochemistry and Cell Biology, CAS

Structure-Based ‘LSD’ Design 

08:50 - 09:10

Jin Young KANG, Korea Advanced Institute of Science and Technology

Time-Resolved Cryo-EM for More Biologists

09:10 - 09:30

Takahiro KOSUGI, Institute for Molecular Science

Toward Rational Control of Cellular Functions Through Customization of Concerted Protein Functions

09:30 - 09:50

Haibo YU, University of Wollongong

Mechanism-Based Design of Potent Inhibitors and High-Performance Sensors

09:50 - 10:10

Zhou GONG, Innovation Academy for Precision Measurement Science and Technology, CAS

Visualizing Agonist-Induced M2 Receptor Activation Regulated by Aromatic Ring Dynamics

10:10 - 10:30

Break & Poster Session

10:30 - 10:50

Pan DENG, Beijing Zhongguancun Academy

Accelerating Drug Discovery with Virtual Cell Modeling

10:50 - 11:10

Jun FAN, City University of Hong Kong

Nanopore Sensing and Sequencing of DNA/Protein

11:10 - 11:30

Ying-Chih CHIANG, The Chinese University of Hong Kong, Shenzhen

AI-Assisted Antimicrobial Peptide Design

11:30- 11:45

Shanshan WU, National Institute of Biological Science, Beijing

Proteome-Wide Large Scale Docking for Ligand Discovery

11:45- 12:00

Cheng SHEN, Tsinghua University

Trillion Ligands per Day: Performance-Portable Virtual Screening via Compound Database Optimization and Multi-Target Docking

12:00 - 13:30

Lunch

Session 5: Computational Biophysics II    

Chairs: Chen SONG &  Eiji YAMAMOTO

13:30 - 13:50

Eiji YAMAMOTO, Keio University

Molecular Dynamics Simulations of Multidomain Proteins: Dynamics in Protein Condensates and at Biological Membrane Surfaces

13:50 – 14:10

Mikako SHIROUZU, RIKEN Center for Integrated Medical Sciences

Conformational Changing of DOCK Protein Complexes on Lipid Membrane

14:10 – 14:30

Suwen ZHAO, ShanghaiTech University

Annotation, Classification, Activation and Database of Olfactory Receptors

14:30 – 14:50

Ariane NUNES ALVES, Technical University Berlin

Integrating Molecular Dynamics Simulations and Machine Learning to Elucidate Gas Diffusion Pathways in [NiFe] Hydrogenases

14:50 – 15:10

Chen SONG, Peking University

Multiscale Simulations of the Binding of GPx4 to Membranes

15:10 - 15:25

Feitong DONG, Southern University of Science and Technology

PLiCat: Decoding Protein-Lipid Interactions by Large Language Model

15:25 - 15:30

Concluding Remarks