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Folding of the Trp-cage Miniprotein Folding of the Trp-cage Miniprotein
Posted by: hexawater

Video duration: 41 seconds

Replica Exchange Molecular Dynamics Simulation of the unbiased folding of a Trp-cage miniprotein in an explicit solvent. The water molecules are not shown here.
The movie depicts one single replica (out of 40) reaching the native folded structure within about 30-40 ns of simulation time.

Related: dynamics, exchange, folding, molecular, protein, replica, simulation, trp-cage
Dynamics of a Miniprotein Dissolved in Water Dynamics of a Miniprotein Dissolved in Water
Posted by: hexawater

Video duration: 53 seconds

Molecular Dynamics Simulation of a Mniprotein dissolved in Water.

Related: bond, computersimulation, dynamics, hydration, hydrogen, molecular, protein, solvation, water
Dynamics of a DNA-fragement Dynamics of a DNA-fragement
Posted by: hexawater

Video duration: 80 seconds

Molecular Dynamics Simulation of a double stranded DNA oligomer (13-mer) in aqueous solution. Shown are the negatively charged DNA and the positivley charged sodium cations

Related: dna, dynamics, ion, molecular, simulation, sodium
Folding of the helical AK-peptide Folding of the helical AK-peptide
Posted by: hexawater

Video duration: 42 seconds

Replica Exchange Molecular Dynamics Simulation of the unbiased folding
of the helical AK-peptide in an explicit water solvent. The water
molecules have been removed for display purposes.

Related: ak-peptide, dynamics, folding, hydration, molecular, protein, simulation