This article summarizes technical advances contained in the fifth major release of the Q-Chem
quantum chemistry program package, covering developments since 2015. A …

A growing body of literature suggests that there is a link between periodontitis and systemic
diseases. These diseases include cardiovascular disease, gastrointestinal and colorectal …

Three types of hydrogenases have been isolated from the sulfate-reducing bacteria of the
genus Desulfobibrio. They differ in their subunit and metal compositions, physico-chemical …

… Huynh currently works on applying deep learning methods to medical image analysis.
His research interests include computational statistics, computer vision, and nonparametric …

… The dashed line in part B is spectrum C normalized to 10% of the total absorption area of
spectrum B. The solid lines are either least-squares fits or theoretical simulations, as described …

… Because identical behavior was seen when protein B is added to Hred, we conclude that
protein B can bind to Hred to form an activated complex as well. If the Hred—protein …

… (b) Validation: Our preliminary results involving fine-tuning underperformed our feature
extraction methods, but we are aware that fine-tuning can often outperform generic feature …

… The failure to observe for reaction B of Fig. U) in either case suggests that an excess of
The spectra in (B) were reductant can prevent it from accumulating rom the protein has been …

Phytate (inositol-hexa-phosphate) has an important role in plants but it also may have anti-nutritional
properties in animals and humans. While there is debate within the plant breeding …

… Based on the hyperfine anisotropy of Fe B plus the reduced isomer shift, X is now best
described as a spin-coupled Fe III /Fe IV center without a radical, but with significant spin …