Dear Editor, Since the first outbreak in late 2019, the RNA genome of SARS-CoV-2 has
been undergoing constant evolution. This is largely attributed to the viral polymerase that is …

Metal ions play significant roles in biological systems. Accurate molecular dynamics (MD)
simulations on these systems require a validated set of parameters. Although there are more …

Black phosphorus (BP) is a very promising material for telecommunication due to its direct
bandgap and strong resonant absorption in near‐infrared wavelength range. However, …

Even though the nonlinear optical effects of solution processed organic–inorganic
perovskite films have been studied, the nonlinear optical properties in two-dimensional (2D) …

Building upon fine particulate matter (PM2. 5) data and the accompanying meteorological
conditions in the fall of 2013, Guo et al.(1) conclude that local aerosol nucleation and growth …

Amber is the collective name for a suite of programs that allow users to carry out molecular
dynamics simulations, particularly on biomolecules. None of the individual programs carries …

Sulforaphane is an isothiocyanate that is present naturally in widely consumed vegetables
and has a particularly high concentration in broccoli. This compound has been shown to …

Vascular proliferative disorders, such as atherosclerosis and restenosis, are the most common
causes of severe cardiovascular diseases, but a common molecular mechanism remains …

… Luke Landry, Pengfei Li. Development of a Fluctuating Charge Model for Zinc-Containing
Metalloproteins. Journal of Chemical Information and Modeling 2024, 64 (3) , 812-824. …

Metal ions play significant roles in numerous fields including chemistry, geochemistry,
biochemistry, and materials science. With computational tools increasingly becoming important in …