Protein–ligand docking

Known as: Protein-ligand docking 
Protein–ligand docking is a molecular modelling technique. The goal of protein–ligand docking is to predict the position and orientation of a ligand… (More)
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1997-2017
02419972017

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2016
2016
MOTIVATION Protein-protein interactions are a key in virtually all biological processes. For a detailed understanding of the… (More)
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2015
2015
Protein-ligand docking is an essential step in modern drug discovery process. The challenge here is to accurately predict and… (More)
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2013
2013
In this article, an enhanced version of GalaxyDock protein-ligand docking program is introduced. GalaxyDock performs… (More)
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2011
2011
Protein-ligand docking techniques are one of the essential tools for structure-based drug design. Two major components of a… (More)
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2009
2009
Protein-ligand docking is to predict a ligand conformation and orientation with respect to a protein within its binding site, and… (More)
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2009
2009
Protein kinases have high structural plasticity: their structure can change significantly, depending on what ligands are bound to… (More)
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Highly Cited
2009
Highly Cited
2009
Insights into what stabilizes natural food webs have always been limited by a fundamental dilemma: Studies either need to make… (More)
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2008
2008
In this work, we validate and analyze the results of previously published cross docking experiments and classify failed dockings… (More)
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2007
2007
Protein-ligand docking can be formulated as a parameter optimization problem associated with an accurate scoring function, which… (More)
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1997
1997
A possible way of tackling the molecular docking problem arising in computer-aided drug design is the use of the incremental… (More)
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