How to cite pyGPCCA ------------------- If you use *pyGPCCA* or parts of it to model molecular dynamics, e.g. to coarse-grain protein conformational dynamics, cite [`Reuter18`_] as: .. code-block:: bibtex @article{Reuter18, author = {Reuter, Bernhard and Weber, Marcus and Fackeldey, Konstantin and Röblitz, Susanna and Garcia, Martin E.}, title = {Generalized Markov State Modeling Method for Nonequilibrium Biomolecular Dynamics: Exemplified on Amyloid β Conformational Dynamics Driven by an Oscillating Electric Field}, journal = {Journal of Chemical Theory and Computation}, volume = {14}, number = {7}, pages = {3579-3594}, year = {2018}, doi = {10.1021/acs.jctc.8b00079}, note = {PMID: 29812922}, } If you use *pyGPCCA* or parts of it in a more general context, e.g. to model cellular dynamics, cite [`Reuter19`_] as: .. code-block:: bibtex @article{Reuter19, author = {Reuter,Bernhard and Fackeldey,Konstantin and Weber,Marcus }, title = {Generalized Markov modeling of nonreversible molecular kinetics}, journal = {The Journal of Chemical Physics}, volume = {150}, number = {17}, pages = {174103}, year = {2019}, doi = {10.1063/1.5064530}, } Please also consider to cite the appropriate version of the *pyGPCCA* package as deposited on Zenodo [`Reuter22`_]. .. _Reuter18: https://pubs.acs.org/doi/abs/10.1021/acs.jctc.8b00079 .. _Reuter19: https://doi.org/10.1063/1.5064530 .. _Reuter22: https://doi.org/10.5281/zenodo.6913970