Macromolecular dynamics: structure, function and diseases

Date :From 2014-06-15 To 2014-07-11
Advisory committee :
Local coordinators :Hualiang Jiang(Shanghai Institute of Materia Medica, CAS),Luhua Lai(Beijing University), Zhongcan Ouyang(KITPC/ITP-CAS), Wei Wang(Nanjing University)
International coordinators :Jianpeng Ma(Baylar College of Medicine), Jose Onuchic(Rice University), Zhongcan Ouyang(KITPC/ITP-CAS),Jin Wang(SUNY at Stony Brook)

The ultimate goal of biology is to understand the function. On the molecular level, the biological function is realized by the interactions between the biomolecules. In order to understand the function, conventionally we have to explore the underlying molecular structures. Structures are usually determined by X-ray, NMR, and EM method. Because of the limitation, there is still a 10 fold lagging of the structure information on proteins compared with the relatively rich sequence information. This is so called the protein folding problem. Given a one dimensional sequence, how do we find its associate three structure of the biomolecule?  

Recent findings suggest the connections between the misfolding and aggregation resulting diseases. The next challenge is, how do we understand the interactions between the biomolecules based on the structure information? The ultimate question is how do we understand the biomolecular functions? Studying this is crucial for drug discovery and design.
Recently, the progresses in research have challenged the conventional paradigm of structure determining the function. More and more intrinsically disordered proteins have been found where they possess no structures but perform specific biological questions such as signal transduction and gene regulations. Dynamics is critical in understanding the function. This presents another challenge to understand the interplay between the structure, dynamics and function. 
Due to the technological breakthrough, exploring the folding and binding dynamics of biomolecules becomes experimentally possible at different time scales. Such progresses include optical spectroscopy, force microscopy, electrochemistry, nuclear magnetic resonance and single molecules.  Interesting properties about molecular process such as folding of a molecule, conformational dynamics, and molecular recognition can be revealed through the analysis of the time series.On the practical side, understanding the inherent signatures imbedded in the time series will be essential for protein folding and misfolding related to diseases, molecular recognition, and drug discovery.
The theme of this KITPC program is to bring together experts in protein folding and biomolecular interactions, to study the dynamics of these different systems. We are aiming to establish a coherent framework to understand the underlying physical mechanisms for function and dynamics. We believe such event will promote the training and interactions with the frontier researchers, catalyze the interdisciplinary communications as well as mutual learning of the students and post doctors in these areas.
Topics include: protein folding, biomolecular interactions and recognition, protein conformational dynamics. The questions include:
  • Is there a physical principle and framework of studying misfolding and disease?  
  • Is there a physical principle and framework of studying in vivo folding?  
  • Is there a physical principle and framework of biomolecular interactions?  
  • Is there a physical principle and framework for conformational dynamics?  
  • Is there a physical principle and framework to study the biomolecular functions?  
  • Is there a physical principle and framework for studying drug discovery?  
  • What is the role of evolution on the functions of biomolecules?    
  • Can we understand the protein folding, conformational dynamics and biomolecular interactions in a global way and what kind of physical models are most appropriate?  
  • How the experimental advances can help for understanding the protein folding, conformational dynamics and biomolecular interactions?


Tuesday, June 17th
8: 00 am Bob Mathews: Protein Folding
9:30 pm Frederic Poitevin: Structure and dynamics of a ligand-gated ion channel
11:00 am Philippe Roche: Disruption of protein-protein interactions with small molecules
2:00 pm Gilad Haran: Single Molecule Protein Folding
3:30 am Sam Cho: Binding and Conformational Dynamics of Proteins
5:00 pm Yitzhak Rabin: Chromatin Structure and Dynamics
June 18th-19th
ICBP Workshop
June 20th-22nd
ICBP Conference
Monday, June 23rd
8:00 am Jose Onuchic: Molecular Machines.
9:30 am Hualiang Jiang: Drug Discovery
11:00 am Gilad Haran: Hydrophobic collapse-what does it teach us about protein folding?
2:00 pm Andrzej Kloczkowski: Methods of Modeling and Predicting Protein Structures and Functions
3:30 pm Ron Elber: MileStone Tutorial I
Tuesday, June 24th
8:00 am Jhih-Wei Chu: Protein Conformational Dynamics
9:30 am Guanghong Wei: Biomolecular Conformation Dynamics
11:00 am Xueyu Song: Protein-Protein Interactions
2:00 pm Ron Elber : MileStone Tutorial II
Wednesday June 25th

2:00 pm Ron Elber: MileStone Tutorial III
Thursday June 26th
8:00 am Gideon Schreiber: Protein-Protein Recognition
9:30 am Patricia Jennings: Knot Protein Folding
11:00 am Sarah Shammas: Folding upon Binding
2:00 pm Qing Ji: Motor Dynamics
3:30 pm Ron Elber: MileStone Tutorial IV
Friday June 27th
8:00 am Masaki Sasai: Dynamical Landscapes of Motors and Enzymes
9:30 am Tamiki Komatsuzaki: Single Molecule Dynamics
11:00 am Jin Wang Specificity and Affinity in Biomolecular Recognition and Drug Discovery
2:00 pm Ron Elber: MileStone Tutorial V