Computational enzymology is a rapidly maturing field that is increasingly integral to
understanding mechanisms of enzyme-catalyzed reactions and their practical applications …

Butyrylcholinesterase is a promiscuous enzyme that displays complex kinetic behavior. It is
toxicologically important because it detoxifies organophosphorus poisons (OP) by making a …

Carbon quantum dots (CQDs) are attracting tremendous interest owing to their low toxicity,
water dispersibility, biocompatibility, optical properties and wide applicability. Herein, CQDs …

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

Structural information of butyrylcholinesterase (BChE) and its variants associated with
several diseases are discussed here. Pure human BChE has been proved safe and effective …

The present article reviews published efforts to study acetylcholinesterase and
butyrylcholinesterase structure and function using computer-based modeling and simulation …

Summary Pillar [6] MaxQ (P6AS) functions as an in vivo sequestration agent for
methamphetamine and fentanyl. We use 1 H NMR, isothermal titration calorimetry, and …

Acetylcholinesterase (AChE) is a remarkably efficient serine hydrolase responsible for the
termination of impulse signaling at cholinergic synapses. By employing Born− Oppenheimer …

Quantum mechanical (QM) methods are becoming popular in computational drug design
and development mainly because high accuracy is required to estimate (relative) binding …

Modern tools for enzyme discovery and protein engineering substantially broadened the
number of enzymes applicable for biocatalysis and helped to alter their properties such as …