Workshop Program

Sunday, May 20, 2017
5:00-7:00 pm Arrival in Shenzhen/Registration
Location: check-in area: 1st floor, Building A,
Ming Wah International Convention Center
Monday, May 21, 2017
Auditorium Room, 3rd Floor, Building C ( C座三楼报告厅)
Ming Wah International Convention Center
8:00-8:45 am Registration
Location:Outside of Auditorium Room (3rd floor,Building C)
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)
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)
 
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)
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)
12:00-2:00 pm Lunch
(明华轩中餐厅: Minghua Chinese Restaurant)
Location: 1st floor, Building C
Monday, May 21, 2017
Afternoon Session I (Chair: Dongqing Wei)
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)
2:30-2:50 pm Yujuan Zhang
Chongqing Normal University
Subcellular stoichiogenomics reveal cell evolution and electrostatic interaction mechanisms
(Contributed Talk)
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)
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)
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)
4:30-5:00 pm Jonathan B Ferrell
University of Vermont
Multiscale Modeling for Protein/Peptide Complexes
(Outstanding Young Researcher Award Talk)
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)
5:20-5:40 pm Nathan Bernhardt
University of Oklahoma
Multi-funnel Landscape of the Fold-Switching Protein RfaH-CTD
(Contributed Talk)
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)
6:30-8:30 pm Poster Session with dinner buffet
Location: Crow's Nest(云霄阁),25th floor, Building C
Tuesday, May 22, 2017
Auditorium Room, 3rd Floor, Building C (C座三楼报告厅)
Ming Wah International Convention Center
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
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)
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)
11:00-11:30 am Jianing Li
University of Vermont
Molecular Basis of the PAC1 Receptor, a Stress-Related Membrane Protein
(Invited Talk)
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)
12:00-2:00 pm Lunch
(明华轩中餐厅:Minghua Chinese Restaurant)
Location: 1st floor, Building C
Tuesday, May 22, 2017
Afternoon Session I (Chair: Xuhui Huang)
2:00-2:30 pm Yuguang Mu
Nanyang Technological University
Binding Modes of Teixobactin to Lipid II: Molecular Dynamic Study
(Invited Talk)
 
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)
3:00-3:30 pm Weitong Ren
Nanjing University
Phosphorylation modulated p53 binding to MDM2 by multiscale simulations
(Outstanding Young Researcher Award Talk)
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)
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)
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)
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)
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)
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
Wednesday, May 23, 2017
Auditorium Room, 3rd Floor, Building C (C座三楼报告厅)
Ming Wah International Convention center
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)
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)
9:30-10:00 am Yingying Xu
Southern Medical University
Multi-label Protein Subcellular Localization Prediction Based on Bioimages
(Outstanding Young Researcher Award Talk)
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)
11:00 -11:30 am Ly Le
Vietnam National University
Rational Designs of Hemagglutinin Based Universal Influence Vaccine
(Invited Talk)
11:30 am - 12:00 pm Jiang Fan
Peking University Shenzhen Graduate School
Applications of Molecular Dynamics Simulation in Protein Structure Prediction
(Invited Talk)
12:00 -12:15 pm Parting words
Conference ends
12:00 -12:15 pm Lunch
(明华轩中餐厅:Minghua Chinese Restaurant)
Location: 1st floor, Building C