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A "black-box" re-weighting analysis can correct flawed simulation data, after the fact
[article]

F. Marty Ytreberg, Daniel M. Zuckerman

2007
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arXiv
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pre-print

Successful implementations *of* the strategy, which reduce both statistical error and bias, are developed for a one-*dimensional* system, and a 50-atom peptide, for which the correct 250-to-1 population ratio ...
There is a great need for improved statistical sampling in a range *of* physical, chemical and biological systems. ...
The canonical *estimates* (*squares*) were computed *via* (4), and the black-box *estimates* (circles) *via* Eqs. (5) and (6) with a bin size *of* 0.005. ...

arXiv:physics/0609194v2
fatcat:34lx5cqxbvdyhieo7fmc5dhpty