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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
AutoDock
Docking (molecular)
Folding@home
List of protein structure prediction software
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Broader (2)
Cheminformatics
Computational chemistry
Papers overview
Semantic Scholar uses AI to extract papers important to this topic.
Highly Cited
2012
Highly Cited
2012
idock: A multithreaded virtual screening tool for flexible ligand docking
Hongjian Li
,
K. Leung
,
M. Wong
IEEE Symposium on Computational Intelligence in…
2012
Corpus ID: 14208952
AutoDock Vina is a competitive protein-ligand docking tool well known for its fast execution and high accuracy. Nevertheless…
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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)
G. A. Ardizzoia
,
S. Brenna
,
B. Therrien
2010
Corpus ID: 55864542
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…
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Highly Cited
2010
Highly Cited
2010
Luminescent terbium and europium probes for lifetime based sensing of temperature between 0 and 70 °C
Jiangbo Yu
,
Lining Sun
,
Hongshang Peng
,
Matthias I. J. Stich
2010
Corpus ID: 136781198
Organic europium (III) and terbium (III) complexes (refered to as Eu1, Eu2, and Tb-L1, Tb-L2, respectively) have been synthesized…
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2009
2009
CXCL 10 Inhibits Viral Replication Through Recruitment of Natural Killer Cells in Coxsackievirus B 3-Induced Myocarditis
Ji Yuan
,
Zhen Liu
,
+9 authors
Decheng Yang
2009
Corpus ID: 2399701
Coxsackievirus (CV)B3 is the primary cause of viral myocarditis. We previously observed CXC chemokine ligand 10 (CXCL10…
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Highly Cited
2007
Highly Cited
2007
An ant colony optimization approach to flexible protein–ligand docking
O. Korb
,
T. Stützle
,
T. Exner
Swarm Intelligence
2007
Corpus ID: 18358475
Abstract The prediction of the complex structure of a small ligand with a protein, the so-called protein–ligand docking problem…
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Review
2005
Review
2005
SPECIFICITY AND VERSATILITY IN TGF-β SIGNALING THROUGH SMADS
Xin-Hua Feng
,
R. Derynck
2005
Corpus ID: 19437726
AbstractThe TGF-β family comprises many structurally related differentiation factors that act through a heteromeric receptor…
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Highly Cited
2005
Highly Cited
2005
Varenicline: An α4β2 Nicotinic Receptor Partial Agonist for Smoking Cessation
J. Coe
,
P. Brooks
,
+18 authors
B. O’Neill
2005
Corpus ID: 83548212
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…
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Highly Cited
2004
Highly Cited
2004
A Small Molecule Smac Mimic Potentiates TRAIL- and TNFα-Mediated Cell Death
Lin Li
,
R. Thomas
,
Hidetaka Suzuki
,
J. D. De Brabander
,
Xiaodong Wang
,
P. Harran
Science
2004
Corpus ID: 58926089
We describe the synthesis and properties of a small molecule mimic of Smac, a pro-apoptotic protein that functions by relieving…
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Highly Cited
2003
Highly Cited
2003
Evolutionary Computation In Bioinformatics
G. Fogel
,
D. Corne
2003
Corpus ID: 12210948
1999
1999
Nitric Oxide Production and Fas Surface Expression Mediate Two Independent Pathways of Cytokine-Induced Murine-Cell Damage
U. Zumsteg
,
S. Frigerio
,
G. Holländer
1999
Corpus ID: 38304745
Activated T-cells and macrophages infiltrate pancreatic islets early in the pathogenesis of type 1 diabetes. Their secretion of…
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