SEEKR2: Versatile Multiscale Milestoning Utilizing the OpenMM Molecular Dynamics Engine

Lane W. Votapka, Andrew M. Stokely, Anupam A. Ojha, Rommie E. Amaro. SEEKR2: Versatile Multiscale Milestoning Utilizing the OpenMM Molecular Dynamics Engine. Journal of Chemical Information and Computer Sciences, 62(13):3253-3262, 2022. [doi]

@article{VotapkaSOA22,
  title = {SEEKR2: Versatile Multiscale Milestoning Utilizing the OpenMM Molecular Dynamics Engine},
  author = {Lane W. Votapka and Andrew M. Stokely and Anupam A. Ojha and Rommie E. Amaro},
  year = {2022},
  doi = {10.1021/acs.jcim.2c00501},
  url = {https://doi.org/10.1021/acs.jcim.2c00501},
  researchr = {https://researchr.org/publication/VotapkaSOA22},
  cites = {0},
  citedby = {0},
  journal = {Journal of Chemical Information and Computer Sciences},
  volume = {62},
  number = {13},
  pages = {3253-3262},
}