Docking -molecular interaction

Known as: Docking 
A binding interaction that results in localization of the ligand.
National Institutes of Health

Topic mentions per year

Topic mentions per year

1974-2017
0500100019742017

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
Highly Cited
2010
Highly Cited
2010
AutoDock Vina, a new program for molecular docking and virtual screening, is presented. AutoDock Vina achieves an approximately… (More)
  • table 1
  • figure 1
  • figure 3
  • figure 2
  • figure 4
Is this relevant?
Highly Cited
2009
Highly Cited
2009
We describe the testing and release of AutoDock4 and the accompanying graphical user interface AutoDockTools. AutoDock4… (More)
  • figure 1
  • figure 2
  • figure 2
  • figure 3
Is this relevant?
Highly Cited
2006
Highly Cited
2006
A novel scoring function to estimate protein-ligand binding affinities has been developed and implemented as the Glide 4.0 XP… (More)
  • figure 1
  • figure 2
  • table 1
  • figure 3
  • figure 4
Is this relevant?
Highly Cited
2006
Highly Cited
2006
Docking is a computational technique that samples conformations of small molecules in protein binding sites; scoring functions… (More)
  • table 1
  • table 2
  • figure 1
  • table 3
  • figure 2
Is this relevant?
Highly Cited
2006
Highly Cited
2006
In this article we introduce a molecular docking algorithm called MolDock. MolDock is based on a new heuristic search algorithm… (More)
  • figure 1
  • table 1
  • table 2
  • table 4
  • table 3
Is this relevant?
Highly Cited
2004
Highly Cited
2004
Unlike other methods for docking ligands to the rigid 3D structure of a known protein receptor, Glide approximates a complete… (More)
  • table 7
  • table 6
  • table 8
  • table 9
  • table 10
Is this relevant?
Highly Cited
2004
Highly Cited
2004
Docking molecules into their respective 3D macromolecular targets is a widely used method for lead optimization. However, the… (More)
  • table 1
  • table 1
  • figure 1
  • figure 2
  • figure 3
Is this relevant?
Highly Cited
2003
Highly Cited
2003
The structure determination of protein-protein complexes is a rather tedious and lengthy process, by both NMR and X-ray… (More)
  • figure 1
  • figure 2
  • figure 3
  • figure 4
  • figure 5
Is this relevant?
Highly Cited
1996
Highly Cited
1996
We present an automatic method for docking organic ligands into protein binding sites. The method can be used in the design… (More)
  • figure 1
  • table 1
  • figure 2
  • figure 3
  • figure 4
Is this relevant?
Highly Cited
1994
Highly Cited
1994
Signaling by tyrosine kinase receptors is mediated by selective interactions between individual Src homology 2 (SH2) domains of… (More)
Is this relevant?