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cxhernandez avatar cxhernandez commented on June 12, 2024

Note to users: Let us know if you use this software in your manuscript! We'd love to add it to this list.

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cxhernandez avatar cxhernandez commented on June 12, 2024

image

@article{Gao2017,
  doi = {10.1021/acs.jpcb.7b00062},
  url = {https://doi.org/10.1021%2Facs.jpcb.7b00062},
  year  = {2017},
  month = {mar},
  publisher = {American Chemical Society ({ACS})},
  author = {Kaifu Gao and Yunjie Zhao},
  title = {A Network of Conformational Transitions in the Apo Form of {NDM}-1 Enzyme Revealed by {MD} Simulation and a Markov State Model},
  journal = {The Journal of Physical Chemistry B}
}

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cxhernandez avatar cxhernandez commented on June 12, 2024

@article{MSultan2017,
  doi = {10.1021/acs.jctc.7b00182},
  url = {https://doi.org/10.1021%2Facs.jctc.7b00182},
  year  = {2017},
  month = {apr},
  publisher = {American Chemical Society ({ACS})},
  author = {Mohammad M. Sultan and Vijay S. Pande},
  title = {{tICA}-Metadynamics: Accelerating Metadynamics by using kinetically selected collective variables},
  journal = {Journal of Chemical Theory and Computation}
}

cc @msultan

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cxhernandez avatar cxhernandez commented on June 12, 2024

image

@article{MSultan2017,
  doi = {10.1101/158592},
  url = {https://doi.org/10.1101/158592},
  year  = {2017},
  month = {jul},
  publisher = {Cold Spring Harbor Laboratory},
  author = {Mohammad Muneeb Sultan and Vijay Pande},
  title = {Transferable {tICA}-Metadynamics: Efficient sampling of protein mutants by transferring information from the wild type{\textquotesingle}s Markov state model}
}

cc @msultan

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