Molecular dynamics simulations as a guide for modulating small molecule aggregation

Azam Nesabi, Jas Kalayan, Sara Al Rawashdeh, Mohammad A. Ghattas, Richard A. Bryce. Molecular dynamics simulations as a guide for modulating small molecule aggregation. Journal of Computer-Aided Molecular Design, 38(1):11, December 2024. [doi]

@article{NesabiKRGB24,
  title = {Molecular dynamics simulations as a guide for modulating small molecule aggregation},
  author = {Azam Nesabi and Jas Kalayan and Sara Al Rawashdeh and Mohammad A. Ghattas and Richard A. Bryce},
  year = {2024},
  month = {December},
  doi = {10.1007/s10822-024-00557-1},
  url = {https://doi.org/10.1007/s10822-024-00557-1},
  researchr = {https://researchr.org/publication/NesabiKRGB24},
  cites = {0},
  citedby = {0},
  journal = {Journal of Computer-Aided Molecular Design},
  volume = {38},
  number = {1},
  pages = {11},
}