↓Skip to main content

pub008 - From byte to bench to bedside: Molecular dynamics simulations and drug discovery

Authors: Mayar Ahmed, Alex M. Maldonado, Jacob D. Durrant

Journal: BMC Biology

Citations: 3

DOI: 10.1186/s12915-023-01791-z

Abstract
#

Molecular dynamics (MD) simulations and computer-aided drug design (CADD) have advanced substantially over the past two decades, thanks to continuous computer hardware and software improvements. Given these advancements, MD simulations are poised to become even more powerful tools for investigating the dynamic interactions between potential small-molecule drugs and their target proteins, with significant implications for pharmacological research.

Citation
#

@article{ahmed2023byte,
  title={From byte to bench to bedside: Molecular dynamics simulations and drug discovery},
  author={Ahmed, Mayar and Maldonado, Alex M and Durrant, Jacob D},
  journal={BMC Biol.},
  volume={21},
  number={1},
  pages={299},
  year={2023},
  publisher={Springer},
  doi={10.1186/s12915-023-01791-z}
}