Corpus ID: 236493377

Quantum Molecular Unfolding

@inproceedings{Mato2021QuantumMU,
  title={Quantum Molecular Unfolding},
  author={Kevin Mato and Riccardo Mengoni and Daniele Ottaviani and Gianluca Palermo},
  year={2021}
}
Molecular Docking (MD) 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 focused on one specific phase of the molecular docking procedure i.e. Molecular Unfolding (MU), which is… Expand

References

SHOWING 1-10 OF 12 REFERENCES
Quantum Computation and Quantum Information (10th Anniversary edition)
TLDR
Containing a wealth of figures and exercises, this well-known textbook is ideal for courses on the subject, and will interest beginning graduate students and researchers in physics, computer science, mathematics, and electrical engineering. Expand
Learn
This article describes the process and findings of a community study that was part of a task force to improve educational experiences for new English learners, particularly the large number ofExpand
Drug Discovery Today 7
  • 1047
Current Computer Aided-Drug Design 7
  • 146
  • 2011
The Journal of Supercomputing 77
  • 841
  • 2020
Scientific Reports 9
  • 13708
  • 2019
Quantum 2
  • 79
  • 2018
and M
  • Fingerhuth, Coarse-grained lattice protein folding on a quantum annealer
  • 2018
Advances in Water Resources 34
  • 1124
  • 2011
Science 220
  • 671
  • 1983
...
1
2
...