Molecular Docking Simulation

Known as: Simulation, Molecular Docking, Docking Simulation, Molecular, Docking Simulations, Molecular 
A computer simulation technique that is used to model the interaction between two molecules. Typically the docking simulation measures the… (More)
National Institutes of Health

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Molecular Docking AnalysisProtein Interaction Mappinglegislation & jurisprudencestandards characteristics

Papers overview

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2016
2016
BACE1 molecular docking and anti-Alzheimer's disease activities of ginsenosides.
ETHNOPHARMACOLOGICAL RELEVANCE Ginsenosides are natural product steroid glycosides and triterpene saponins obtained from the… (More)
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2015
2015
Interaction mode of polycarbazole-titanium dioxide nanocomposite with DNA: Molecular docking simulation and in-vitro antimicrobial study.
A polycarbazole-titanium dioxide (PCz/TiO2-8) nanocomposite was synthesized for the first time by in-situ oxidative… (More)
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2013
2013
wFReDoW: A Cloud-Based Web Environment to Handle Molecular Docking Simulations of a Fully Flexible Receptor Model
Molecular docking simulations of fully flexible protein receptor (FFR) models are coming of age. In our studies, an FFR model is… (More)
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2013
2013
Adenosine deaminase activity modulation by some street drug: molecular docking simulation and experimental investigation
Adenosine deaminase (ADA) is an enzyme that plays important roles in proliferation, maturation, function and development of the… (More)
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2013
2013
Molecular docking simulation studies on potent butyrylcholinesterase inhibitors obtained from microbial transformation of dihydrotestosterone
BACKGROUND Biotransformation is an effective technique for the synthesis of libraries of bioactive compounds. Current study on… (More)
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2012
2012
Agonistic effect of polyunsaturated fatty acids (PUFAs) and its metabolites on brain-derived neurotrophic factor (BDNF) through molecular docking simulation
Brain-derived neurotrophic factor (BDNF) is a potent neurotrophic factor that is implicated in the regulation of food intake and… (More)
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2011
2011
FReDoWS: a method to automate molecular docking simulations with explicit receptor flexibility and snapshots selection
In silico molecular docking is an essential step in modern drug discovery when driven by a well defined macromolecular target… (More)
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2010
2010
Mechanism of entecavir resistance of hepatitis B virus with viral breakthrough as determined by long-term clinical assessment and molecular docking simulation.
The mechanism by which entecavir resistance (ETVr) substitutions of hepatitis B virus (HBV) can induce breakthrough (BT) during… (More)
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2010
2010
Binding investigation of integrin alphavbeta3 with its inhibitors by SPR technology and molecular docking simulation.
Integrins play critical roles in the process of angiogenesis and are attractive targets for anticancer therapies. It is desirable… (More)
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2007
2007
The wave variables , a solution for stable haptic feedback in molecular docking simulations
This paper presents a new method for a six degrees of freedom haptic feedback in molecular docking simulations in virtual reality… (More)
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