Skip to search formSkip to main content
You are currently offline. Some features of the site may not work correctly.

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… Expand
Wikipedia

Related topics

Related topics

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

Broader (2)

CheminformaticsComputational 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
AutoDock Vina is a competitive protein-ligand docking tool well known for its fast execution and high accuracy. Nevertheless… Expand
  • figure 1
  • figure 2
  • table I
  • figure 3
  • figure 4
Highly Cited
2010
Highly Cited
2010
Mapping of brain acetylcholinesterase alterations in Lewy body disease by PET
s / Neuroscience Research 68S (2010) e109–e222 e193 P1-n27 Synergistic protection of dopamiergic neuron by an allosteric… Expand
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… Expand
Highly Cited
2008
Highly Cited
2008
Prostaglandin E 2 synergistically with interleukin-23 favors human Th 17 expansion
Microenvironment molecular cues direct T helper (Th) cell differentiation; however, Th17 fate determination is still imprecisely… Expand
  • figure 1
  • figure 2
  • figure 3
  • figure 4
  • figure 5
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… Expand
  • figure 1
  • figure 2
  • figure 3
  • table 1
  • figure 4
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… Expand
  • table 1
  • figure 1
  • figure 2
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… Expand
Highly Cited
2003
Highly Cited
2003
Evolutionary Computation In Bioinformatics
Bioinformatics has never been as popular as it is today. The genomics revolution is generating so much data in such rapid… Expand
Highly Cited
2001
Highly Cited
2001
IL-1β induces dendritic cells to produce IL-12
The cytokine IL-12, a product of dendritic cells (DC), plays a major role in cellular immunity, notably by inducing lymphocytes… Expand
  • table 1
  • figure 2
  • figure 5
  • figure 6
  • figure 8
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… Expand
  • figure 1
  • figure 2
  • figure 3
  • figure 4
  • figure 5
By clicking accept or continuing to use the site, you agree to the terms outlined in our Privacy Policy, Terms of Service, and Dataset License
ACCEPT & CONTINUE