Improving the Accuracy of Protein-Ligand Binding Mode Prediction Using a Molecular Dynamics-Based Pocket Generation Approach

Mitsugu Araki, Hiroaki Iwata, Biao Ma, Atsuto Fujita, Kei Terayama, Yukari Sagae, Fumie Ono, Koji Tsuda, Narutoshi Kamiya, Yasushi Okuno. Improving the Accuracy of Protein-Ligand Binding Mode Prediction Using a Molecular Dynamics-Based Pocket Generation Approach. Journal of Computational Chemistry, 39(32):2679-2689, 2018. [doi]

@article{ArakiIMFTSOTKO18,
  title = {Improving the Accuracy of Protein-Ligand Binding Mode Prediction Using a Molecular Dynamics-Based Pocket Generation Approach},
  author = {Mitsugu Araki and Hiroaki Iwata and Biao Ma and Atsuto Fujita and Kei Terayama and Yukari Sagae and Fumie Ono and Koji Tsuda and Narutoshi Kamiya and Yasushi Okuno},
  year = {2018},
  doi = {10.1002/jcc.25715},
  url = {https://doi.org/10.1002/jcc.25715},
  researchr = {https://researchr.org/publication/ArakiIMFTSOTKO18},
  cites = {0},
  citedby = {0},
  journal = {Journal of Computational Chemistry},
  volume = {39},
  number = {32},
  pages = {2679-2689},
}