Role of length-dependent stability of collagen-like peptides

Article Abstract:

A molecular dynamics simulation is used to understand the significance of sequence length or the number of triplets on the stability of collagen -like peptides. The results reveal that the structure, folding and stabilization of collagen is influenced by the intermolecular structural rigidity of the imino acid residues, hydrogen bonding, and water structure around the three chains of the triple helix.

Peptides, Polypeptides, Peptide synthesis

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Liquid water confined in carbon nanochannels at high temperatures

Article Abstract:

Molecular dynamics simulations are used for examining the structure, hydrogen bonding, electrostatics, dielectric and dynamical properties of liquid water confined in flat graphene nanochannels. The residence times of water molecules in adsorbed and bulk-like regions are affected by temperature.

Electric properties, Water, Carbon

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Effect of anions on static orientational correlations, hydrogen bonds, and dynamics in ionic liquids: a simulational study

Article Abstract:

The force field is applied to study three different ionic liquids through the atomistic molecular dynamics simulations. The influence of anions on the strength of hydrogen bonding and the stacked orientation of the cations within the framework of the force field are examined.

Ionic solutions

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