Conformational and Reaction Dynamic Coupling in Histidine Kinases: Insights from Hybrid QM/MM Simulations

Federico A. Olivieri, Osvaldo Burastero, Salvador I. Drusin, Lucas A. Defelipe, Diana E. Wetzler, Adrian Gustavo Turjanski, Marcelo A. Marti. Conformational and Reaction Dynamic Coupling in Histidine Kinases: Insights from Hybrid QM/MM Simulations. Journal of Chemical Information and Computer Sciences, 60(2):833-842, 2020. [doi]

@article{OlivieriBDDWTM20,
  title = {Conformational and Reaction Dynamic Coupling in Histidine Kinases: Insights from Hybrid QM/MM Simulations},
  author = {Federico A. Olivieri and Osvaldo Burastero and Salvador I. Drusin and Lucas A. Defelipe and Diana E. Wetzler and Adrian Gustavo Turjanski and Marcelo A. Marti},
  year = {2020},
  doi = {10.1021/acs.jcim.9b00806},
  url = {https://doi.org/10.1021/acs.jcim.9b00806},
  researchr = {https://researchr.org/publication/OlivieriBDDWTM20},
  cites = {0},
  citedby = {0},
  journal = {Journal of Chemical Information and Computer Sciences},
  volume = {60},
  number = {2},
  pages = {833-842},
}