A critical assessment of methods to recover information from averaged data

作者:Ravera Enrico; Sgheri Luca; Parigi Giacomo; Luchinat Claudio
来源:Physical Chemistry Chemical Physics, 2016, 18(8): 5686-5701.
DOI:10.1039/c5cp04077a

摘要

We analyze the different approaches to obtain quantitative and accurate structural information from averaged data. We cluster them in two groups: those satisfying the maximum entropy principle and those recovering ensembles composed of a restricted number of conformations. Information of different types are recovered in the two cases.

  • 出版日期2016-2-28