Classical equilibrium molecular dynamics(MD) simulations have been performed to investigate dynamical properties of cage radial breathing modes and intra- and inter-cage hydrogen migration in both pure hydrogen and mixed ...
Extensive equilibrium molecular dynamics (MD) simulations have been performed to investigate thermal conduction mechanisms via the Green-Kubo approach for (type II) hydrogen hydrate, at 0.05 kbar and between 30 and 250 K, ...
Protein kinases (PK) control phosphorylation in eukaryotic cells, and thereby regulate
metabolic pathways, cell cycle progression, apoptosis and transcription.
Consequently there is significant interest in manipulating ...