Workshop Program
| Sunday, May 20, 2018 | ||
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| 5:00-7:00 pm | Arrival in Shenzhen/Registration Location： check-in area: 1st floor, Building A, Ming Wah International Convention Center |
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| Monday, May 21, 2018 Auditorium Room, 3rd Floor, Building C ( C座三楼报告厅) Ming Wah International Convention Center |
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| 8:00-8:45 am | Registration Location：Outside of Auditorium Room （3rd floor，Building C） |
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| 8:45-9:00 am | Welcome notes (Chair: Yanjie Wei ) | |
| Mrning Session I （Chair： Shengzhong Feng） | ||
| 9:00-10:00 am | Depei Qian Sun Yat-Sen University Exa-scale Computing in China： Current status and perspectives (Keynote Talk) |
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| 10:00-10:30 am | Lizhe Zhu Hong Kong University of Science and Technology An efficient Travelling-salesman based Automated Path Searching method for large biomolecular systems (Outstanding Young Researcher Award Talk) |
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| 10:30-11:00 am | Break | |
| Morning Session II （Chair: Ulrich HE Hansmann） | ||
| 11:00-11:30 am | Hongbin Shen Shanghai Jiaotong University Residue Contact Map-Driven Protein Structure Prediction and Refinement (Invited Talk) |
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| 11:30-12:00 am | Aman Chandra Kaushik Shanghai Jiaotong University Deep learning based approach for prevention of Alzheimer’s disease （Outstanding Young Researcher Award） |
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| 12:00-2:00 pm | Lunch (明华轩中餐厅: Minghua Chinese Restaurant) Location: 1st floor, Building C |
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| Monday, May 21, 2018 Afternoon Session I （Chair: Dongqing Wei） |
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| 2:00-2:30 pm | Guohui Li Dalian Institute of Chemical Physics, Chinese Academy of Sciences Polarizable lipid models and applications for membrane proteins (Invited Talk) |
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| 2:30-2:50 pm | Yujuan Zhang Chongqing Normal University Subcellular stoichiogenomics reveal cell evolution and electrostatic interaction mechanisms (Contributed Talk) |
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| 2:50-3:10 pm | Mingjun Yang XtalPi Inc. Polarizable and System Specific Force Field Development and Application to Crystal Structure Prediction and Vaccine Design (Contributed Talk) |
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| 3:10-3:30 pm | Ke Chen Nanjing University Binding or Recognization of copper with prion protein: Knowledge from Cu-PHGGGWGQ Coordination Dynamics with Charge Transfer Model (Contributed Talk) |
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| 3:30-4:00 pm | Break | |
| Afternoon Session II （Chair: Guohui Li） | ||
| 4:00-4:30 pm | Dongqing Wei Shanghai Jiaotong University Rare Event Dynamics Involving Membrane Systems and CADD (Invited Talk) |
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| 4:30-5:00 pm | Jonathan B Ferrell University of Vermont Multiscale Modeling for Protein/Peptide Complexes (Outstanding Young Researcher Award Talk) |
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| 5:00-5:20 pm | Yonghui Zhang City University of HongKong Cytotoxicity of boron nitride nanosheet to lipid membranes: insights from molecular dynamics simulation studies (Contributed Talk) |
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| 5:20-5:40 pm | Nathan Bernhardt University of Oklahoma Multi-funnel Landscape of the Fold-Switching Protein RfaH-CTD (Contributed Talk) |
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| 5:40-6:00 pm | Ling Chen Shenzhen Institutes of Advance Technology Chinese Academy of Sciences Genomic characterization of bacteriophage ValSw3-3 infecting Vibrio alginolyticus, a new member of a proposed genus in the family Siphoviridae (Contributed Talk) |
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| 6:30-8:30 pm | Poster Session with dinner buffet Location： Crow's Nest（云霄阁），25th floor, Building C |
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| Tuesday, May 22, 2018 Auditorium Room, 3rd Floor, Building C (C座三楼报告厅) Ming Wah International Convention Center |
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| Morning Session I（Chair：Ulrich HE Hansmann） | ||
| 8:30-9:30 am | Jiali Gao University of Minnesota Control of Water by Protein Functional Dynamics in two Photoreceptors Keynote talk |
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| 9:30-10:00 am | Zheng Liangzhen Nanyang Technological University Dynamics changes of Cas9 high fidelity variant: A molecular dynamics simulation study (Outstanding Young Researcher Award) |
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| 10:00-10:30 am | Group Photo & Break （Conference Room） | |
| Morning Session II (Chair: Jiali Gao) | ||
| 10:30-11:00 am | Xuhui Huang Hong Kong University of Science and Technology From Molecular Dynamics to Genomic Biology: Constructing Kinetic Network Models to Elucidate Transcriptional Fidelity of RNA Polymerase II (Invited Talk) |
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| 11:00-11:30 am | Jianing Li University of Vermont Molecular Basis of the PAC1 Receptor, a Stress-Related Membrane Protein (Invited Talk) |
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| 11:30-12:00 pm | Kei Moritsugu Yokohama City University Multiscale enhanced sampling of glucokinase: Regulation of the enzymatic reaction via a large scale domain motion (Invited Talk) |
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| 12:00-2:00 pm | Lunch (明华轩中餐厅：Minghua Chinese Restaurant) Location: 1st floor, Building C |
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| Tuesday, May 22, 2018 Afternoon Session I （Chair: Xuhui Huang） |
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| 2:00-2:30 pm | Yuguang Mu Nanyang Technological University Binding Modes of Teixobactin to Lipid II: Molecular Dynamic Study (Invited Talk) |
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| 2:30-3:00 pm | Wei Han Peking University Shenzhen Graduate School Insights into protein aggregation revealed by hybrid-resolution simulations and kinetic network analysis (Invited Talk) |
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| 3:00-3:30 pm | Weitong Ren Nanjing University Phosphorylation modulated p53 binding to MDM2 by multiscale simulations (Outstanding Young Researcher Award Talk) |
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| 3:30-4:00 pm | Break | |
| Afternoon Session II（Chair: Yuguang Mu） | ||
| 4:00-4:30 pm | Ioan Andricioaei University of California, Irvine Methods for the Enhanced Sampling of δ (i) Long-time Kinetics and (ii) Large-scale Dynamics of Biomolecules (Invited Talk) |
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| 4:30-5:00 pm | Xubo Lin Beihang University Probe the Dynamics of Membrane Domains and Its Biological Effects using Molecular Dynamics Simulation (Outstanding Young Researcher Award Talk) |
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| 5:00-5:20 pm | Jinping Lei Hong Kong University of Science and Technology Acylation and Deacylation mechanism of Class A β-lactamase mutant E166Y with Cephaloridine (Contributed Talk) |
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| 5:20-5:40 pm | Huiling Zhang Shenzhen Institutes of Advanced Technology, CAS Residue Contact Prediction for Transmenbrane Proteins Based on Machine Learning and Mixed Integer Linear Programming (Contributed Talk) |
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| 5:40-6:00 pm | Satyavani Kaliamurthi Henan University of Technology Designing of CD8+ and CD4+ T-cell epitope based vaccine by targeting whole genome of Asian subtype HPV 52 isolates (Contributed Talk) |
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| 7:00-9:00 pm | Conference Dinner Location： Haojing Seafood Restaurant（濠景海鲜酒楼） Direction to the restaurant can be found in the last section of the agenda |
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| Wednesday, May 23, 2018 Auditorium Room, 3rd Floor, Building C (C座三楼报告厅) Ming Wah International Convention center |
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| Morning Session I （Chair: Ioan Andricioaei） | ||
| 8:30-9:00 am | Guanghong Wei Fudan University Mechanistic insights into peptide self-assembly, aggregation and amyloid inhibition (Invited Talk) |
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| 9:00-9:30 am | Jun Fan City University of Hong Kong molecular dynamics simulation of cell membrane interacting with proteins and nanosheets (Invited Talk) |
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| 9:30-10:00 am | Yingying Xu Southern Medical University Multi-label Protein Subcellular Localization Prediction Based on Bioimages (Outstanding Young Researcher Award Talk) |
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| 10:00-10:30 am | Break | |
| Morning Session II （Chair: Yanjie Wei） | ||
| 10:30-11:00 am | Parimal Kar Indian Institute of Technology, Indore Investigating Effects of Phosphorylation on the Structure and Dynamics of WNK Kinase by Using µs-long Molecular Dynamics Simulation (Invited Talk) |
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| 11:00 -11:30 am | Ly Le Vietnam National University Rational Designs of Hemagglutinin Based Universal Influence Vaccine (Invited Talk) |
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| 11:30 am - 12:00 pm | Jiang Fan Peking University Shenzhen Graduate School Applications of Molecular Dynamics Simulation in Protein Structure Prediction (Invited Talk) |
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| 12:00 -12:15 pm | Parting words Conference ends |
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| 12:00 -12:15 pm | Lunch (明华轩中餐厅：Minghua Chinese Restaurant) Location: 1st floor, Building C |
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