Molecular recognition, which is the process of biological macromolecules interacting with
each other or various small molecules with a high specificity and affinity to form a specific …

The aim of docking is to accurately predict the structure of a ligand within the constraints of a
receptor binding site and to correctly estimate the strength of binding. We discuss, in detail …

This manuscript presents the latest algorithmic and methodological developments to the
structure‐based design program DOCK 6.7 focused on an updated internal energy function …

The root-mean-square deviation (RMSD) is a similarity measure widely used in analysis of
macromolecular structures and dynamics. As increasingly larger macromolecular systems …

Δ 9-Tetrahydrocannabinol (THC) and cannabidiol (CBD) occur naturally in marijuana
(Cannabis) and may be formulated, individually or in combination in pharmaceuticals such …

Extensive antibiotic use increases the environmental presence of their residues and may
accelerate the development of antibiotic resistance, although this remains poorly understood …

The pathological mechanisms of radiation ulcer remain unsolved and there is currently no
effective medicine. Here, we demonstrate that persistent DNA damage foci and cell …

Drug discovery is the most expensive, time-demanding, and challenging project in
biopharmaceutical companies which aims at the identification and optimization of lead …

Metabolism of xenobiotics remains a central challenge for the discovery and development of
drugs, cosmetics, nutritional supplements, and agrochemicals. Metabolic transformations …

Strigolactones (SLs) are endogenous hormones and exuded signaling molecules in plant
responses to low levels of mineral nutrients. Key mediators of the SL signaling pathway in …