Plastics pollution represents a global environmental crisis. In response, microbes are
evolving the capacity to utilize synthetic polymers as carbon and energy sources. Recently …

Increasing demands for efficient and versatile chemical reactions have prompted
innovations in enzyme engineering. A major challenge in engineering α-ketoglutarate …

The bimetallic platinum complexes are known as unique building blocks and arewidely
utilized in the coordination-driven self-assembly of functionalized supramolecular …

Herein, we present a novel esterase enzyme, Ade1, isolated from a metagenomic library of
Amazonian dark earths soils, demonstrating its broad substrate promiscuity by hydrolyzing …

First-principles quantum mechanical/molecular mechanical (QM/MM)-free energy
calculations have been performed to uncover how uricase catalyzes metabolic reactions of …

A series of computational methods were used to study how cytochrome P450 2A6 (CYP2A6)
interacts with (S)-(−)-nicotine, demonstrating that the dominant molecular species of (S)-(−) …

First-principles quantum mechanical/molecular mechanical free energy calculations have
been performed to provide the first detailed computational study on the possible …

Compared with naturally occurring enzymes, computationally designed enzymes are usually
much less efficient, with their catalytic activities being more than six orders of magnitude …

Abstract Strategy, Management and Health Policy Enabling Technology, Genomics,
Proteomics Preclinical Research Preclinical Development Toxicology, Formulation Drug …

Possible reaction pathways for papain-catalyzed hydrolysis of N-acetyl-Phe-Gly 4-
nitroanilide (APGNA) have been studied by performing pseudobond first-principles quantum …