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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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Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
2017
2017
Docking studies of 1,5-disubtituted tetrazoles analogs of the anticancer drug imatinib as probable inhibitors of the ABL kinase and the T315I mutant kinase
A docking studies of a set of several 1,5-disubstituted tetrazoles (1,5-DS-T) compounds to find potential inhibitors of the… 
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
A Novel , Selective Inhibitor of Hepatitis C Virus Targeted against the Viral RNA-Dependent RNA-Polymerase H Research
Hepatitis C virus, an enveloped positive – stranded RNA virus and the sole member of the genus Hepacivirus within the… 
2015
2015
Identification of Drug Target Against Bacteroides Fragilis 638R: Through Insilico Genome Analysis
Bacteroides fragilis is a Gram-negative, rod shaped bacterium and the most standard anaerobic bacterium creating bacteremia in… 
2013
2013
Multithreaded version of AutoDock 4.2 suitable for massive virtual screening of potential biologically active compounds (enzyme inhibitors)
A modified version of a well-known docking package AutoDock 4.2 was created. It is specially designed for virtual screening of a… 
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… 
Review
2012
Review
2012
The Study of the Biological Activity of Flavonoids by means of Computational Chemistry Methods Ph
Flavonoids represent a highly explored chemical class of natural compounds, as we underline by means of a concise bibliometric… 
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… 
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