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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… 
2017
2017
In Silico Screening and Analysis of Potential Inhibitors of Arylamine N-Acetyltransferases (NATs) from the Traditional Chinese Medicine: A Study Using Free Available Tools
Arylamine N-acetyltransferases (NATs) are cytosolic enzymes, highly polymorphic, present in both eukaryotes and prokaryotes… 
2017
2017
Ligan Activity of Antiaris toxicaria Lesch. and the Role of Toxicarioside in Crude Extract: In Silico, In Vitro, and In Vivo Approaches
Antiaris toxicaria Lesch is one of the endemic plant to Kalimantan Island and some tropical countries in South East Asia region… 
2015
2015
INTERNATIONAL JOURNAL OF PHARMACY & LIFE SCIENCES (Int. J. of Pharm. Life Sci.) Screening of Antiviral Therapeutic Ligands against Lassa Virus l Protein by using Autodock
Old world Arena virus (Lassa virus) is belongs to the family Arenaviridae, causes Lassa fever and Lassa hemorrhagic fever. In the… 
2015
2015
Semantic resource classification using statistical analysis for application characteristics in intercloud environment
Scientists gain benefits from scalable resource provisioning on-demand, and various computing environments by using cloud… 
2013
2013
Strategy in structure-based drug design for influenza A virus targeting M2 channel proteins
The 2009 influenza A virus pandemic, with high level of drug resistance reported, has highlighted the urgent need of more… 
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
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… 
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