Comparing the structural character of residues 1-12 from molecular dynamics simulation of two differ

来源 :第六届全国生物信息学与系统生物学学术大会暨国际生物信息学前沿研讨会 | 被引量 : 0次 | 上传用户:Jeanneyli
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  Background: It is imperative to develop new simulation sampling method to characterize IDPs.Stultz et al divided the long sequence IDPs into eight residues long fragments (for α-synuclein, the first two fragments are residues 1-8 and 6-13), then used temperature replica-exchange molecular dynamics (T-REMD) simulation (using implicit solvent model) to construct the structural library of short segments, and then used bayesian statistics to determine a probability distribution for each conformation in the ensemble based on both theoretical and experimental information.
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