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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)
Wikipedia

Topic mentions per year

Topic mentions per year

1997-2017
02419972017

Related topics

Related topics

8 relations
AutoDockDockingFolding@homeList of protein structure prediction software
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Broader (2)

CheminformaticsComputational chemistry

Related mentions per year

Related mentions per year

1960-2018
1960198020002020
Protein–ligand docking
Docking
Computational chemistry
Molecular modelling
Virtual screening
Cheminformatics

Papers overview

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2016
2016
Finding correct protein–protein docking models using ProQDock
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
PSOVina: The hybrid particle swarm optimization algorithm for protein-ligand docking
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
GalaxyDock2: Protein-ligand docking using beta-complex and global optimization
In this article, an enhanced version of GalaxyDock protein-ligand docking program is introduced. GalaxyDock performs… (More)
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2011
2011
LigDockCSA: Protein-ligand docking using conformational space annealing
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 Based on ß-shape
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
Conformational selection of protein kinase A revealed by flexible-ligand flexible-protein docking
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
Generalized models reveal stabilizing factors in food webs.
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
Protein-ligand docking with multiple flexible side chains
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
SODOCK: Swarm optimization for highly flexible protein-ligand docking
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
Multiple automatic base selection: Protein-ligand docking based on incremental construction without manual intervention
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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