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. Author manuscript; available in PMC: 2017 Mar 9.
Published in final edited form as: Methods Enzymol. 2016 Jul 9;578:273–297. doi: 10.1016/bs.mie.2016.05.023

Figure 4. Protocol for extraction of conformational sub-states and populations.

Figure 4

The input to the method is a set of structures or conformations (from X-ray, NMR or MD simulations), which after preprocessing are used to obtain second-order conformational vectors. For more accurate characterization higher-order methods are used. The obtained vectors are used for projecting the conformations from initial set of conformations. The results are analyzed by clustering method to classify the conformations into sub-states.