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vvoelz / biceps

Bayesian inference of conformational populations

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try run MBAR using subsampled (decorrelated) trajectory for population estimation and BICePs score calculation

yunhuige opened this issue · comments

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Given what we found in the effect of subsampling in the trajectory on the estimation of thermodynamic properties using MBAR, we should try do the same in the BICePs and see the difference. A good starting point could be cineromycin B.