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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
On the role of message broker middleware for many-task computing on a big-data platform
We have designed and implemented a new data processing framework called “Many-task computing On HAdoop” (MOHA) which aims to… 
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… 
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… 
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… 
2008
2008
Les médicaments peptidiques : mythe ou réalité ?
Les peptides trouvent de nombreux debouches d’application dans le domaine biotechnologique, parmi lesquels des applications… 
2008
2008
Recherche d'inhibiteurs de haute affinité de l'ADN polymérase bêta par criblage virtuel et RMN
L'ADN polymerase Beta est une cible pharmacologique de la progression tumorale et de la resistance aux traitements anti-tumoraux… 
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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