The puzzling mass-independent isotopic enrichment in ozone formation contrasts markedly
with the more recently observed large unconventional mass-dependent ratios of the …

Germ cells are vital for transmitting genetic information from one generation to the next and
for maintaining the continuation of species. Here, we analyze the transcriptome of human …

Ion hydration and transport at interfaces are relevant to a wide range of applied fields and
natural processes 1 , 2 , 3 , 4 – 5 . Interfacial effects are particularly profound in confined …

Although molecular dynamics simulations have become a useful tool in essentially all fields
of chemistry, condensed matter physics, materials science, and biology, there is still a large …

Allostery is well documented for proteins but less recognized for DNA-protein interactions.
Here, we report that specific binding of a protein on DNA is substantially stabilized or …

In cells, biological molecules function in an aqueous solution. Electrolytes and other small
molecules play important roles in keeping the osmotic pressure of the cellular environment as …

A simple method is introduced to achieve efficient random walking in the energy space in
molecular dynamics simulations which thus enhances the sampling over a large energy range. …

The effects of urea, tetramethyl urea (TMU), and trimethylamine N-oxide (TMAO) on the structure
and dynamics of aqueous solutions are studied using molecular dynamics simulations. …

Vibrational sum frequency spectroscopy (VSFS) and molecular dynamics (MD) simulations
were used in concert to investigate the molecular structure and hydrogen bonding of the air/…

Insight into the dynamics of the electron transfer reactions at semiconductor/liquid interfaces
can be helpful in constructing efficient and stable photoelectrochemical cells and other …