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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 Discovery
DOCK
Docking (molecular)
Help Fight Childhood Cancer
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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
C. Cortés-García
,
Abel Suárez-Castro
,
Rocío Gámez‐Montaño
,
Luis Chacón García
2017
Corpus ID: 67852480
A docking studies of a set of several 1,5-disubstituted tetrazoles (1,5-DS-T) compounds to find potential inhibitors of the…
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2015
2015
A Novel , Selective Inhibitor of Hepatitis C Virus Targeted against the Viral RNA-Dependent RNA-Polymerase H Research
K. Deshmukh
,
Shama Mujawar
,
+5 authors
N. Sood
2015
Corpus ID: 53143880
Hepatitis C virus, an enveloped positive – stranded RNA virus and the sole member of the genus Hepacivirus within the…
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2015
2015
Identification of Drug Target Against Bacteroides Fragilis 638R: Through Insilico Genome Analysis
Ajeet Singh
2015
Corpus ID: 88759181
Bacteroides fragilis is a Gram-negative, rod shaped bacterium and the most standard anaerobic bacterium creating bacteremia in…
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2015
2015
acetamide Derivatives as Src Kinase Inhibitors: Synthesis, Biological Evaluation and Molecular Docking Studies
Z. Kilic-Kurt
2015
Corpus ID: 212470153
The synthesis of new N-(3-substituted-benzylidene-2-oxoindolin-5-yl) acetamide (5-14) derivatives along with their inhibitory…
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2015
2015
Applying a Novel Web-Tool for Performing Virtual Screening Experiments
V. Seus
,
Jorge Gomes
,
K. Machado
2015
Corpus ID: 53966587
.
2014
2014
Possible allosteric binding site on Gyrase B, a key target for novel anti-TB drugs: homology modelling and binding site identification using molecular dynamics simulation and binding free energy…
Sarentha Chetty
,
M. Soliman
Medicinal Chemistry Research
2014
Corpus ID: 253635850
Although tuberculosis (TB) is a treatable disease, it still impacts highly on the morbidity and mortality of people in sub…
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2013
2013
Multithreaded version of AutoDock 4.2 suitable for massive virtual screening of potential biologically active compounds (enzyme inhibitors)
V. Tanchuk
,
V. O. Tanin
,
A. Vovk
2013
Corpus ID: 63739000
A modified version of a well-known docking package AutoDock 4.2 was created. It is specially designed for virtual screening of a…
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2013
2013
Strategy in structure-based drug design for influenza A virus targeting M2 channel proteins
Nhut M Tran
,
Linh Tran
,
Ly Le
Medicinal Chemistry Research
2013
Corpus ID: 253646775
The 2009 influenza A virus pandemic, with high level of drug resistance reported, has highlighted the urgent need of more…
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Review
2012
Review
2012
The Study of the Biological Activity of Flavonoids by means of Computational Chemistry Methods Ph
Avram I. Sorin
,
L. Kurunczi
,
M. Diudea
,
M. Medeleanu
2012
Corpus ID: 16195314
Flavonoids represent a highly explored chemical class of natural compounds, as we underline by means of a concise bibliometric…
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2010
2010
Knowledge-Guided Docking of Flexible Ligands to SH2 Domain Proteins
Haiyun Lu
,
Shamima Rashid
,
Hao Li
,
W. Leow
,
Y. Liou
International Conferences on Biological…
2010
Corpus ID: 34073333
Studies of interactions between protein domains and ligands are important in many aspects such as cellular signaling and…
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