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

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
2016
2016
ETHNOPHARMACOLOGICAL RELEVANCE Ginsenosides are natural product steroid glycosides and triterpene saponins obtained from the… (More)
Is this relevant?
2015
2015
A polycarbazole-titanium dioxide (PCz/TiO2-8) nanocomposite was synthesized for the first time by in-situ oxidative… (More)
Is this relevant?
2013
2013
Molecular docking simulations of fully flexible protein receptor (FFR) models are coming of age. In our studies, an FFR model is… (More)
  • figure 1
  • figure 2
  • figure 3
  • figure 4
  • figure 5
Is this relevant?
2013
2013
Adenosine deaminase (ADA) is an enzyme that plays important roles in proliferation, maturation, function and development of the… (More)
  • table 1
  • figure 1
  • figure 2
  • figure 3
  • figure 4
Is this relevant?
2013
2013
BACKGROUND Biotransformation is an effective technique for the synthesis of libraries of bioactive compounds. Current study on… (More)
  • figure 1
  • figure 2
  • figure 3
  • table 1
  • table 2
Is this relevant?
2012
2012
Brain-derived neurotrophic factor (BDNF) is a potent neurotrophic factor that is implicated in the regulation of food intake and… (More)
  • figure 1
  • table 1
  • figure 2
  • figure 3
Is this relevant?
2011
2011
In silico molecular docking is an essential step in modern drug discovery when driven by a well defined macromolecular target… (More)
  • figure 1
  • figure 2
  • figure 3
  • figure 4
  • figure 5
Is this relevant?
2010
2010
The mechanism by which entecavir resistance (ETVr) substitutions of hepatitis B virus (HBV) can induce breakthrough (BT) during… (More)
  • table 1
  • table 2
  • figure 1
  • table 3
  • figure 2
Is this relevant?
2010
2010
Integrins play critical roles in the process of angiogenesis and are attractive targets for anticancer therapies. It is desirable… (More)
  • figure 1
  • figure 2
  • table 1
  • figure 3
  • figure 5
Is this relevant?
2007
2007
This paper presents a new method for a six degrees of freedom haptic feedback in molecular docking simulations in virtual reality… (More)
  • figure 1
  • figure 2
  • figure 4
  • figure 3
  • figure 6
Is this relevant?