Quantum molecular unfolding

@article{Mato2021QuantumMU,
  title={Quantum molecular unfolding},
  author={Kevin Mato and Riccardo Mengoni and Daniele Ottaviani and Gianluca Palermo},
  journal={Quantum Science \& Technology},
  year={2021},
  volume={7}
}
Molecular docking is an important step of the drug discovery process which aims at calculating the preferred position and shape of one molecule to a second when they are bound to each other. During such analysis, 3D representations of molecules are manipulated according to their degree of freedoms: rigid roto-translation and fragment rotations along the rotatable bonds. In our work, we focussed on one specific phase of the molecular docking procedure i.e. molecular unfolding (MU), which is used… 

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