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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… 
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Related topics

Related topics

8 relations
AutoDockDocking (molecular)Folding@homeList of protein structure prediction software

Broader (2)

CheminformaticsComputational chemistry

Papers overview

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Highly Cited
2012
Highly Cited
2012
idock: A multithreaded virtual screening tool for flexible ligand docking
AutoDock Vina is a competitive protein-ligand docking tool well known for its fast execution and high accuracy. Nevertheless… 
2010
2010
The Adaptable Coordination Chemistry of 6-Chloro-2-(quinolin-2-yl)-2,4-dihydro-1H-benzo[d][1,3]oxazine Towards Zinc(II) and Mercury(II)
The coordination chemistry of 6-chloro-2-(quinolin-2-yl)-2,4-dihydro-1H-benzo[d][1,3]oxazine (LH 2 ) towards zinc and mercury has… 
Highly Cited
2010
Highly Cited
2010
Luminescent terbium and europium probes for lifetime based sensing of temperature between 0 and 70 °C
Organic europium (III) and terbium (III) complexes (refered to as Eu1, Eu2, and Tb-L1, Tb-L2, respectively) have been synthesized… 
2009
2009
CXCL 10 Inhibits Viral Replication Through Recruitment of Natural Killer Cells in Coxsackievirus B 3-Induced Myocarditis
Coxsackievirus (CV)B3 is the primary cause of viral myocarditis. We previously observed CXC chemokine ligand 10 (CXCL10… 
Highly Cited
2007
Highly Cited
2007
An ant colony optimization approach to flexible protein–ligand docking
Abstract The prediction of the complex structure of a small ligand with a protein, the so-called protein–ligand docking problem… 
Review
2005
Review
2005
SPECIFICITY AND VERSATILITY IN TGF-β SIGNALING THROUGH SMADS
AbstractThe TGF-β family comprises many structurally related differentiation factors that act through a heteromeric receptor… 
Highly Cited
2005
Highly Cited
2005
Varenicline: An α4β2 Nicotinic Receptor Partial Agonist for Smoking Cessation
Herein we describe a novel series of compounds from which varenicline (1, 6,7,8,9-tetrahydro-6,10-methano-6H-pyrazino[2,3-h][3… 
Highly Cited
2004
Highly Cited
2004
A Small Molecule Smac Mimic Potentiates TRAIL- and TNFα-Mediated Cell Death
We describe the synthesis and properties of a small molecule mimic of Smac, a pro-apoptotic protein that functions by relieving… 
Highly Cited
2003
Highly Cited
2003
Evolutionary Computation In Bioinformatics
1999
1999
Nitric Oxide Production and Fas Surface Expression Mediate Two Independent Pathways of Cytokine-Induced Murine-Cell Damage
Activated T-cells and macrophages infiltrate pancreatic islets early in the pathogenesis of type 1 diabetes. Their secretion of… 
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