Discrete molecular dynamics can predict prestructured motifs in disordered proteins
نویسندگان
چکیده
Figure S1 α-helical propensities in KID using RX-DMD. RX-DMD simulations using 8 replicas were performed for all the experimentally investigated proteins with PresMo, collected in the review of Lee et al.[1] α-helical propensities of the conformational ensembles at each simulation temperature were determined and plotted as described in Methods. KID is shown as an example, while the results for all other proteins and temperatures can be found at http://disorder.hegelab.org. Green boxes: PresMo regions determined experimentally [2,3].
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