Biological and condensed matter group
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Single file water in a carbon nanotube (2 ns)
softsimu
43 views
Molecular simulations are a powerful tool and they have provided predictions in a wide variety of physical and chemical systems that have later been verified by experiments...
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Beta blocker Nebivolol (srrr form) in the binding pocket of beta-2 receptor
softsimu
71 views
Beta-adrenergic receptors have many vital physiological functions: for example, beta-1 receptors are important for the contractility of heart muscle, beta-2 for lungs and b...
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Forest fire simulation 2: Slow combustion
softsimu
400 views
This movie shows the time development of the temperature field in a simulation of slow combustion in 2-d when the background reactant concentration (e.g. trees) is randomly...
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Forest fire simulation 1: Slow combustion
softsimu
578 views
This movie shows the time development of the temperature field in a simulation of slow combustion in 2-d when the background reactant concentration (e.g. trees) is uniform....
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MD simulation of alpha-hemolysin pore
softsimu
1,461 views
MD simulation of Staphylococcus aureus toxin alpha-hemolysin in a lipid bilayer.
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Ethanol molecule hydrogen bonding to a POPC lipid
softsimu
2,968 views
A movie showing how ethanol forms hydrogen bonds with (POPC) lipids. Snapshot from a molecular dynamics simulations of ethanol, water and 128 POPC lipids. Water has been re...
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Translocation of polymer through a narrow hole
softsimu
747 views
Molecular dynamics simulation of spontaneous translocation of a polymer of length N=100 through a narrow hole. The process is driven by an applied electric field.
Referen...
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Catechol-O-Methyl Transferase
softsimu
2,036 views
Molecular Dynamics simulations of the enzyme Catechol-O-Methyl Transferase
Catechol-O-methyltransferase (COMT) is an enzyme responsible for the inactivation, for example, c...
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Molecular Dynamics simulation of a lipid bilayer and water.
softsimu
8,413 views
MD simulation of a cholesterol containing (20%) lipid bilayer (DPPC) with explicit water (SPC).
As the visualization goes on, water is removed for clarity and a bird's-...
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Sterol flip-flop in a lipid bilayer
softsimu
4,673 views
A movie of a ketosterol molecule undergoing a flip-flop in a lipid bilayer. To our knowledge this is the first time a sterol flip-flop has been seen in a simulation.
Ket...
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