Docking (molecular)

Known as: Docking, Molecular+Docking, Molecular docking 
In the field of molecular modeling, docking is a method which predicts the preferred orientation of one molecule to a second when bound to each other… (More)
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Highly Cited
2009
Highly Cited
2009
AutoDock Vina, a new program for molecular docking and virtual screening, is presented. AutoDock Vina achieves an approximately… (More)
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Highly Cited
2009
Highly Cited
2009
We describe the testing and release of AutoDock4 and the accompanying graphical user interface AutoDockTools. AutoDock4… (More)
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Highly Cited
2009
Highly Cited
2009
Molecular docking programs are widely used modeling tools for predicting ligand binding modes and structure based virtual… (More)
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Highly Cited
2005
Highly Cited
2005
Here, we describe two freely available web servers for molecular docking. The PatchDock method performs structure prediction of… (More)
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Highly Cited
2003
Highly Cited
2003
The influence of various factors on the accuracy of protein-ligand docking is examined. The factors investigated include the role… (More)
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Highly Cited
2001
Highly Cited
2001
In this paper we describe the search strategies developed for docking flexible molecules to macomolecular sites that are… (More)
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Highly Cited
2000
Highly Cited
2000
Common failures in predicting crystal structures of ligand-protein complexes are investigated for three ligand-protein systems by… (More)
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Highly Cited
1998
Highly Cited
1998
A novel and robust automated docking method that predicts the bound conformations of flexible ligands to macromolecular targets… (More)
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Highly Cited
1996
Highly Cited
1996
AutoDock 2.4 predicts the bound conformations of a small, flexible ligand to a nonflexible macromolecular target of known… (More)
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Highly Cited
1994
Highly Cited
1994
An efficient methodology, further referred to as ICM, for versatile modeling operations and global energy optimization on… (More)
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