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@article{shirts-chodera:jcp:2008:mbar,
author = {Michael R. Shirts and John D. Chodera},
title = {Statistically optimal analysis of samples from multiple equilibrium states},
journal = {Journal of Chemical Physics},
volume = {129},
pages = {124105},
year = {2008},
type = {Journal Article}
}
@article{chodera:jctc:2016:automatic-equilibration-detection,
author = {John D. Chodera},
title = {A simple method for automated equilibration detection in molecular simulations},
journal = {Journal of Chemical Theory and Computation},
volume = {12},
pages = {1799},
year = {2016},
type = {Journal Article}
}
@article{shirts_fes_2020,
author = {Shirts, Michael R. and Ferguson, Andrew L.},
title = {Statistically Optimal Continuous Free Energy Surfaces from Biased Simulations and Multistate Reweighting},
journal = {Journal of Chemical Theory and Computation},
volume = {16},
number = {7},
pages = {4107-4125},
year = {2020},
}
|
