The role of attractive interactions in self-diffusion

Article Abstract:

An alternative approach to self-diffusion in atomic liquids is proposed that is applicable where the concept of binary collisions breaks down and the self-diffusion coefficient is small. A starting point for many theories of self-diffusion is kinetic theory; its basic premise is to understand the macroscopic properties in terms of collisions between particles.

Observations, Particles, Particulate matter, Collisions (Nuclear physics), Particle collisions, Atomic properties, Matter, Kinetic theory of, Kinetic theory

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Examination of the folding of a short alanine-based helical peptide with salt bridges using molecular dynamics simulation

Article Abstract:

A folding simulation is carried out for a short alanine-based helical peptide of 17 residues with three Lys-Glu salt bridges using molecular dynamics simulation. The simulation for this AEK17 peptide has predicted a simulation folding time of 2.5 ns, shorter than the previously simulated AK16 peptide with three charged Lys residues only.

Protein folding, Alanine, Chemical properties

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Molecular dynamics simulation of the structure, dynamics, and thermostability of the RNA hairpins uCACGg and cUUCGg

Article Abstract:

The structure, dynamics, and thermal stability of the structurally similar 14-mer RNA hairpins uCACGg and cUUCGg are studied by using replica-exchange molecular dynamics simulations. The two RNA hairpins exhibited similar structures at room temperature, but the UUCG loop was found to be more flexible than the CACG loop.

RNA, Properties, Structure

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