Homology modeling, docking and molecular dynamics studies of some secondary metabolites of actinomycetes as biocontrol agents against the 3HNR enzyme of the phytopathogenic fungus Alternaria alternata

2021 ◽  
pp. 1-13
Author(s):  
Nedjwa Mansouri ◽  
Ouided Benslama ◽  
Rabah Arhab
Keyword(s):  
Molecular Dynamics ◽  
Secondary Metabolites ◽  
Homology Modeling ◽  
Alternaria Alternata ◽  
Biocontrol Agents ◽  
Phytopathogenic Fungus

A computational study on cannabinoid receptors and potent bioactive cannabinoid ligands: homology modeling, docking, de novo drug design and molecular dynamics analysis

2009 ◽  
Vol 14 (2) ◽  
pp. 257-276 ◽  
Author(s):  
Serdar Durdagi ◽  
Manthos G. Papadopoulos ◽  
Panagiotis G. Zoumpoulakis ◽  
Catherine Koukoulitsa ◽  
Thomas Mavromoustakos
Keyword(s):  
Molecular Dynamics ◽  
Drug Design ◽  
Homology Modeling ◽  
Cannabinoid Receptors ◽  
De Novo ◽  
Computational Study ◽  
Dynamics Analysis ◽  
De Novo Drug Design

Combining fragment homology modeling with molecular dynamics aims at prediction of Ca2+ binding sites in CaBPs

2013 ◽  
Vol 27 (8) ◽  
pp. 697-705 ◽  
Author(s):  
ChunLi Pang ◽  
TianGuang Cao ◽  
JunWei Li ◽  
MengWen Jia ◽  
SuHua Zhang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Homology Modeling ◽  
Binding Sites

scholarly journals Analysis of Antagonistic Potential of Secondary Metabolites and Organic Fractions of Trichoderma Species against Alternaria Alternata

2019 ◽  
Vol 24 (2) ◽  
pp. 81-88 ◽  
Author(s):  
SHAZIA SHAFIQUE ◽  
SOBIYA SHAFIQUE ◽  
ALINA JAVED ◽  
NAUREEN AKHTAR ◽  
SHUMAILA BIBI
Keyword(s):  
Secondary Metabolites ◽  
Alternaria Alternata ◽  
Trichoderma Species ◽  
Antagonistic Potential ◽  
Organic Fractions
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