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Program Schedule
Updated as of 23 May 2016
Venue: IAS Lecture Theater, Lo Ka Chung Building, Lee Shau Kee Campus, HKUST
23 May | 24 May | 25 May | 26 May | 27 May
23 May (Mon)
|
Time |
Event |
|
08:30-08:45 |
Registration |
| 08:45-09:00 |
Opening Remarks
Zhenyang Lin (The
Hong Kong University of Science and Technology)
|
Session
Chair:
Xiaoyuan Li (The Hong Kong University
of Science and Technology) |
|
09:00-09:30 |
Talk: "Theoreticians and Experimentalists Meet on Milliseconds in Biology"
Xinsheng Zhao (Peking University) |
|
09:30-10:00 |
Talk: "Atomically Detailed Simulations of Molecular Machines
with Milestoning"
Ron Elber (University of Texas at Austin) |
|
10:00-10:30 |
Talk: "Protein Kinases from a New Perspective of Computational Structural Biology"
Yibing Shan (D. E. Shaw Research and CSRC, Beijing) |
|
10:30-11:00 |
Coffee Break (Venue: IAS Lobby) |
Session
Chair:
Hongkai Wu (The Hong Kong University
of Science and Technology) |
|
11:00-11:30 |
Talk: "Protein and Solvent Dynamics on the Mechanism of a Photoactivated Dimer Protein"
Jiali Gao (University of Minnesota and Jilin University) |
|
11:30-12:00 |
Talk: "Role of Rhodopsin’s Unusual Kinetics of Thermal Reactions in Dim-Light Vision"
Elsa Yan (Yale University) |
|
12:00-12:30 |
Talk: "Polarization Effects on Conformational Changes in Solutions and Surface Supported Monolayers"
Jing Ma (Nanjing University) |
| 12:30-14:00 |
Program
Lunch
(By invitation only; Venue: Lounge, 5/F, IAS
Building) |
Session
Chair:
Xuhui Huang (The Hong Kong University
of Science and Technology) |
|
14:00-14:30 |
Talk: "Protein Allostery and Conformation Dynamics"
Huan-Xiang Zhou (Florida State University) |
|
14:30-15:00 |
Talk: "An Efficient Approach to Computing Free Energy in Protein-Ligand Binding"
John Zenghui Zhang (East China Normal University and New York University Shanghai) |
|
15:00-15:30 |
Talk: "The Whole Journey of Enzymatic Catalysis: Insight from QM/MM & MM MD Simulations"
Zexing Cao (Xiamen University) |
| 15:30-16:00 |
Coffee Break (Venue: IAS Lobby) |
Session
Chair:
Xuhui Huang (The Hong Kong University
of Science and Technology) |
|
16:00-16:30 |
Talk: "Biomolecular Interactions in Cellular Environments"
Michael Feig (Michigan State University) |
|
16:30-17:00 |
Talk: "Computational Modeling of Histone Complexes, Nucleosomes and Their Modifications"
Garegin Papoian (University of Maryland) |
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24 May (Tue)
|
Time |
Event |
Session
Chair:
Yijing Yan (The Hong Kong University
of Science and Technology) |
|
09:00-09:30 |
Talk: "Experimental Studies of How Biological Motors Actually Work: Quantum and Classical"
Robert Austin (Princeton University) |
|
09:30-10:00 |
Talk: "Robustness of Catalysis, Allostericity, and Torque-transmission of F1-ATPase"
Hiroyuki Noji (The University of Tokyo) |
|
10:00-10:30 |
Talk: "Crucial Role of Protein Flexibility in Enzymatic Catalysis"
Shigehiko Hayashi (Kyoto University) |
|
10:30-11:00 |
Coffee Break (Venue: IAS Lobby) |
Session
Chair:
Yijing Yan (The Hong Kong University
of Science and Technology) |
|
11:00-11:30 |
Talk: "Unconventional Myosins as Cargo Transporters and Mechanotransducers"
Mingjie Zhang (The Hong Kong University of Science and Technology;
Senior Fellow of HKUST Jockey Club Institute for Advanced Study) |
|
11:30-12:00 |
Talk: "Directional Rotation Mechanisms of E.coli Flagellar Motor Revealed by Molecular Modeling"
Guanhua Chen (The University of Hong Kong) |
|
12:00-12:30 |
Talk: "Multiscale Modeling of Molecular Motors and Dynamic Protein-Nucleic Acid Complexes"
Shoji Takada (Kyoto University) |
| 12:30-14:00 |
Program
Lunch
(By invitation only; Venue: Lounge, 5/F, IAS
Building) |
| 14:00-18:00 |
Free Time |
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25 May (Wed)
|
Time |
Event |
Session
Chair:
I-Ming Hsing (The Hong Kong University of Science
and Technology) |
|
09:00-09:30 |
Talk: "Protein Simulations Using Residue-Specific Force Fields"
Yundong Wu (Peking University Shenzhen Graduate School) |
|
09:30-10:00 |
Talk: "The Conformational Modes in Protein Dynamics"
Haw
Yang (Princeton University) |
|
10:00-10:30 |
Talk: "Path-Integral Statistical Learning for Protein Dynamics from Single-Molecule Data"
Jhih-Wei Chu (National Chiao Tung University) |
|
10:30-11:00 |
Group Photo & Coffee Break (Venue: IAS Lobby) |
Session
Chair:
I-Ming Hsing (The Hong Kong University of Science
and Technology) |
|
11:00-11:30 |
Talk: Molecular Recognition and Interactions in STING-CDNs/DMXAA Binding
Yiqin Gao (Peking University) |
|
11:30-12:00 |
Talk: "Superresolution Microscopy in Primary Cilium Studies"
Jung-Chi Liao (Institute of Atomic and Molecular Sciences, Academia Sinica) |
|
12:00-12:30 |
Talk: "Protein Dynamic and Molecular Mechanism Analysis Using Computation and Nuclear Magnetic Resonance"
Changlin Tian (University of Science and Technology of China) |
| 12:30-14:00 |
Program
Lunch
(By invitation only; Venue: Lounge, 5/F, IAS
Building) |
Session
Chair:
Haw Yang (Princeton University) |
|
14:00-14:30 |
Talk: "Quantum Trajectory Mean-field Approach and Its Implementation for Exploring Photo-triggered Helix-coil Transition of a Peptide"
Weihai Fang (Beijing Normal University) |
|
14:30-15:00 |
Talk: "Understanding the Anion-pi Interactions"
Xin Xu (Fudan University) |
|
15:00-15:30 |
Talk: "CHARMM-GUI 10 Years for Biomolecular Modeling and Simulation"
Wonpil Im (The University of Kansas) |
| 15:30-16:00 |
Coffee Break (Venue: IAS Lobby) |
Session
Chair:
Haw Yang (Princeton University) |
|
16:00-16:30 |
Talk: "Continuum and Atomistic Simulations of Protein Mediated Membrane Deformation"
Michael Grabe (University of California at San Francisco) |
|
16:30-17:00 |
Talk: "Synthetic Ion Channels"
Dan Yang (The University of Hong Kong) |
|
17:00-17:30 |
Talk: "A Gating Mechanism of Pentameric Ligand-gated Ion Channels"
Marco Cecchini (Université de Strasbourg) |
| 17:30-18:00 |
Short Break |
|
18:00 |
Dinner Banquet (Venue: Sai Kung)
Note: Coach departs at 18:00; Assembly point: IAS Lobby |
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26 May (Thu)
|
Time |
Event |
Session
Chair:
Qiang Cui (University of Wisconsin - Madison) |
|
09:00-09:30 |
Talk: "Molecular Simulation of Protein Dynamics and Function"
Gerhard Hummer (Max Planck Institute of Biophysics) |
|
09:30-10:00 |
Talk: "Investigation Conformational Changes of Biological Macromolecules Using Markov State Models"
Xuhui Huang (The Hong Kong University of Science and Technology) |
|
10:00-10:30 |
Talk: "Data-driven Protein Design: From Sequence to Structure"
Haiyan Liu (University of Science and Technology of China) |
|
10:30-11:00 |
Coffee Break (Venue: IAS Lobby) |
Session
Chair:
Qiang Cui (University of Wisconsin - Madison) |
|
11:00-11:30 |
Talk: "Conformational Fluctuations in DNAs and Enzymes"
Jianshu Cao (Massachusetts Institute of Technology) |
|
11:30-12:00 |
Talk: "Time-resolved IR Study of Protein Dynamical Structure and Its Relevance to the Biological Function"
Yuxiang Weng (The Institute of Physics, Chinese Academy of Sciences) |
|
12:00-12:30 |
Talk: "Molecular Mechanism of Transition Dynamics in Protein Folding"
Toshifumi Mori (Institute for Molecular Science) |
| 12:30-14:00 |
Program
Lunch
(By invitation only; Venue: Lounge, 5/F, IAS
Building) |
Session
Chair:
Wei Han (Peking University Shenzhen
Graduate School) |
|
14:00-14:30 |
Talk: "Computer Simulations of ABC Transporters"
Peter Tieleman (University of Calgary) |
|
14:30-15:00 |
Talk: "Visualizing Functional Motions and Free Energy Landscapes of Membrane Transporters with Advanced Computational Technologies"
Emad Tajkhorshid (University of Illinois at Urbana-Champaign) |
|
15:00-15:30 |
Talk: "Two-Step Proton Transfer Mechanisms in the Outward-Facing Form of MATE Multidrug Transporter"
Yuji Sugita (RIKEN) |
| 15:30-16:00 |
Coffee Break (Venue: IAS Lobby) |
Session
Chair:
Wei Han (Peking University Shenzhen
Graduate School) |
|
16:00-16:30 |
Talk: "Structural Transition and Mechanochemical Coupling in Kinase and ATPase"
Qiang Cui (University of Wisconsin - Madison) |
|
16:30-17:00 |
Talk: "Probing Protein Conformational Dynamics by Combining Experimental and Computational Studies"
Wenning Wang (Fudan University) |
|
17:00-17:30 |
Talk: "Automatic QM/MM Approach Boosts Abzyme Performance"
Andrey Golovin (Lomonosov Moscow State University) |
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27 May (Fri)
|
Time |
Event |
Session
Chair:
Lung Wa Oscar Chung (South University
of Science and Technology of China) |
|
09:00-09:30 |
Talk: "Ion Effect on Water Hydrogen Bonding Network"
Wei Zhuang (Fujian Institute of Research on the Structure of Matter,
Chinese Academy of Sciences) |
|
09:30-10:00 |
Talk: "Cellular Entry of Nanodiamonds Explored via Molecular Dynamics Simulations"
Yi Wang (The Chinese University of Hong Kong) |
|
10:00-10:30 |
Coffee Break (Venue: IAS Lobby) |
Session
Chair:
Lung Wa Oscar Chung (South University
of Science and Technology of China) |
|
10:30-11:00 |
Talk: "A Thiamine-dependent Enzyme Utilizes an Active Tetrahedral Intermediate in Vitamin K Biosynthesis"
Zhihong Guo (The Hong Kong University of Science and Technology) |
|
11:00-11:30 |
Talk: "Using Isotope Effects to Determine the Reaction Mechanisms behind RNA Transphosphorylation in Acidic and Alkaline Solution, and in Enzyme"
Kin-Yiu Wong (Hong Kong Baptist University) |
|
11:30-11:45 |
Closing Remarks |
| 11:45-13:30 |
Program
Lunch
(By invitation only; Venue: Lounge, 5/F, IAS
Building) |
| Back to top |
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