Concepedia

Inverse docking method for new proteins targets identification: A parallel approach

Romain Vasseur, Stéphanie Baud, Luiz Angelo Steffenel, Xavier Vigouroux, Laurent Martiny, Michaël Krajecki, Manuel Dauchez

Parallel Computing · 2014 · 13 citations · 33 references

DOI

Concepts

References

33

AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

Oleg Trott, Arthur J. Olson · Journal of Computational Chemistry · 2009 · 37.1K citations · Full text

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AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

Garrett M. Morris, Ruth Huey, William Lindstrom et al. · Journal of Computational Chemistry · 2009 · 25K citations · Full text

, , +13

The Cambridge Structural Database: a quarter of a million crystal structures and rising

Frank H. Allen · Acta Crystallographica Section B Structural Science · 2002 · 10.3K citations

, , +14

Extra Precision Glide:  Docking and Scoring Incorporating a Model of Hydrophobic Enclosure for Protein−Ligand Complexes

Richard A. Friesner, Robert B. Murphy, Matthew P. Repasky et al. · Journal of Medicinal Chemistry · 2006 · 6.9K citations

, , +16

Comparative Protein Structure Modeling Using Modeller

Narayanan Eswar, Ben Webb, Marc A. Martı́-Renom et al. · Current Protocols in Bioinformatics · 2006 · 4.6K citations · Full text

, , +17