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AutoDock

AutoDock is a molecular modeling simulation software. It is especially effective for protein-ligand docking. AutoDock 4 is available under the GNU… 
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Computational Resource for Drug DiscoveryDOCKDocking (molecular)Help Fight Childhood Cancer

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
2018
2018
Accelerating AutoDock Vina with Containerization
Molecular docking is an important step in the drug discovery process and uses computing resources to simulate how molecules bind… 
2017
2017
Molecular Docking Evaluation of Some Natural Phenolic Compounds as Aldose Reductase Inhibitors for Diabetic Complications
The enzyme aldose reductase (AR) is a member of aldoketoreductase super-family which catalyzes the formation of sorbitol from… 
2014
2014
Synthesis, crystal structure, ABTS radical-scavenging activity, antimicrobial and docking studies of some novel quinoline derivatives
2011
2011
Molecular Docking on FPGA and GPU Platforms
Molecular docking is an important problem of bioinformatics aiming at the prediction of binding poses of molecules. Auto Dock is… 
2011
2011
Improving Protein Docking Using Sustainable Genetic Algorithms
Computational docking of ligands to protein structures is a key step in identifying potential drug candidates. The docking… 
2010
2010
FPGA-based acceleration of the AutoDock molecular docking software
AutoDock is a popular software for the bioinformatics related molecular docking problem. The FPGA-based acceleration of AutoDock… 
2010
2010
Knowledge-Guided Docking of Flexible Ligands to SH2 Domain Proteins
Studies of interactions between protein domains and ligands are important in many aspects such as cellular signaling and… 
2008
2008
Les médicaments peptidiques : mythe ou réalité ?
Les peptides trouvent de nombreux debouches d’application dans le domaine biotechnologique, parmi lesquels des applications… 
2006
2006
Extending grid protocols onto the desktop using the Mozilla framework
This paper describes an approach to building problem solving environments that provide users with direct access to remote grid… 
2003
2003
Studying enzyme enantioselectivity using combined ab initio and free energy calculations: α-chymotrypsin and methyl cis- and trans-5-oxo-2-pentylpirrolidine-3-carboxylates
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