Rigorous Computational Study Reveals What Docking Overlooks: Double Trouble from Membrane Association in Protein Kinase C Modulators

Saara Lautala, Riccardo Provenzani, Artturi Koivuniemi, Waldemar Kulig, Virpi Talman, Tomasz Róg, Raimo K. Tuominen, Jari Yli-Kauhaluoma, Alex Bunker. Rigorous Computational Study Reveals What Docking Overlooks: Double Trouble from Membrane Association in Protein Kinase C Modulators. Journal of Chemical Information and Computer Sciences, 60(11):5624-5633, 2020. [doi]

@article{LautalaPKKTRTYB20,
  title = {Rigorous Computational Study Reveals What Docking Overlooks: Double Trouble from Membrane Association in Protein Kinase C Modulators},
  author = {Saara Lautala and Riccardo Provenzani and Artturi Koivuniemi and Waldemar Kulig and Virpi Talman and Tomasz Róg and Raimo K. Tuominen and Jari Yli-Kauhaluoma and Alex Bunker},
  year = {2020},
  doi = {10.1021/acs.jcim.0c00624},
  url = {https://doi.org/10.1021/acs.jcim.0c00624},
  researchr = {https://researchr.org/publication/LautalaPKKTRTYB20},
  cites = {0},
  citedby = {0},
  journal = {Journal of Chemical Information and Computer Sciences},
  volume = {60},
  number = {11},
  pages = {5624-5633},
}