Computer-aided drug design (CADD) is one of the pivotal approaches to contemporary pre-
clinical drug discovery, and various computational techniques and software programs are …

The discovery and advances of medicines may be considered as the ultimate relevant
translational science effort that adds to human invulnerability and happiness. But advancing …

Scoring functions are important components in molecular docking for structure-based drug
discovery. Traditional scoring functions, generally empirical-or force field-based, are robust …

Protein–peptide interactions play a crucial role in many cellular and biological functions,
which justify the increasing interest in the development of peptide-based drugs. However …

Recently much effort has been invested in using convolutional neural network (CNN)
models trained on 3D structural images of protein-ligand complexes to distinguish binding …

Thanks to the fast improvement of the computing power and the rapid development of the
computational chemistry and biology, the computer-aided drug design techniques have …

The Kirsten rat sarcoma (KRAS) oncoprotein has been on drug hunters list for decades now.
Initially considered undruggable, recent advances have successfully broken the jinx through …

Ruminants, such as cows, sheep, and goats, predominantly ferment in their rumen plant
material to acetate, propionate, butyrate, CO2, and methane. Whereas the short fatty acids …

G-protein-coupled receptors (GPCRs) represent a large family of signaling proteins that
includes many therapeutic targets; however, progress in identifying new small molecule …

The new coronavirus (SARS-CoV-2) halts the world economy and caused unbearable
medical emergency due to high transmission rate and also no effective vaccine and drugs …