Structures and dynamics of proteins and their complexes are revealed in great details by NMR methods. In contrast to crystallography, no requirement for crystallization, or for low temperature. So processes are closer to physiological conditions. New in-cell methods make this more of a reality.
The experimental process is very slow because of
Intrinsic low sensitivity of method
Buggy whip approaches to data analysis and use of prior known information -over-focus on graphical interfaces and link to spectroscopy
There is no 'master equation'
Need improved, faster methods which incorporate chemical information appropriately, use probability methods in an integrated way, and make reasonable assumptions about averaging and motions.
Incorporate known information into experiment design for assignment and data collection
Break separation of assignment and structure calculation
Identify region of conformational spaces available from NMR data
Complete the loop of analysis and place complete analysis in a proper statistical framework
Use predictive power of integrated approach for
Speed up for structural genomics
Synthetic reconstruction and analysis of muilti-domain/ complexes for therapeutic target evaluation
Predictive structure/ function relationships for newly engineered systems (including de novo biology)