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.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2000
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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.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2007
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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.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2008
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