Structural dynamics of water and its hydrogen-bonding networks play an important role in enzyme function via the transport of protons, ions, and substrates. To gain insights into these mechanisms in ...

We present the results of molecular dynamics (MD) simulations of coarse-grain 1,2-di-n-alkanoyl-sn-glycero-3-phosphocholine Langmuir monolayer systems. Two separate alkanoyl length lipids are ...

The effect of temperature on the distribution and transport of water molecules in a model epoxy molding compound (EMC) system is investigated using atomistic molecular dynamics simulation with 4 and 7 ...

Chinese researchers have decoded the metabolic cycle of yeast using mathematical analysis, revealing striking parallels with ...