De novo drug design is a stationary way to build novel ligands in the confined pocket of
receptor by assembling the atoms or fragments, while molecular dynamics (MD) simulation …

Amorphous solid dispersions (ASDs) are among the most popular and widely studied
solubility enhancement techniques. Since their inception in the early 1960s, the formulation …

Computational chemistry applications have become an integral part of the drug discovery
workflow over the past 35 years. However, computational modeling in support of drug …

Our polymer material and processing industry heavily relies on single-and twin-screw
extrusion technology. To facilitate a circular economy technological upgrades, bridging …

Methods that utilize machine learning and artificial intelligence have transformed a wide
variety of fields, including the field of toxicology. Physiologically based pharmacokinetic …

Drug delivery platforms are anticipated to have biocompatible and bioinert surfaces.
PEGylation of drug carriers is the most approved method since it improves water solubility …

This review article is addressed to a broad community of polymer scientists. We outline and
analyse the fundamentals of the dissipative particle dynamics (DPD) simulation method from …

Our previous work shows that β-lactoglobulin-stabilized amorphous solid dispersion (ASD)
loaded with 70% indomethacin remains stable for more than 12 months. The stability is …

An innovative strategy to address recent challenges in the oral administration of poorly
soluble drugs is the formulation of amorphous solid dispersions (ASDs), where the drug is …

Carbon fibers (CFs) have received remarkable attention in recent decades because of their
excellent mechanical properties, low density, and outstanding chemical/thermal stability …