The following is an excerpt from a recent scientific publica…

The following is an excerpt from a recent scientific publication:“In this study, we adopted the fragment‑based drug design approach … to extract noncovalent and covalent fragments according to distinct 3D interaction modes … we recombined BTK‑focused libraries, and 23 compounds within our libraries have been validated … provides valuable resources for virtual screening of covalent and noncovalent drugs targeting similar molecular targets.” For a kinase target like BTK, what is the advantage of combining covalent and noncovalent fragments in library design?

The following is an excerpt from a recent scientific publica…

The following is an excerpt from a recent scientific publication:“From a chemical point of view, proteins are by far the most structurally complex… structure and chemistry… developed and fine‑tuned over billions of years… location of each amino acid… determines its three‑dimensional shape…. precise shape … determines function.” What evolutionary rationale underlies protein structure–function specificity?

The following is an excerpt from a recent scientific publica…

The following is an excerpt from a recent scientific publication:“Partial atomic charges are essential for an accurate description of non‑covalent interactions between drug ligands and the MOR… relative to fentanyl, the presence of the fluorine atom in the compound NFEPP alters the partial atomic charges… fentanyl has an overall larger positive charge of the amine system, which could allow stronger H‑bonding to MOR.” According to the excerpt, how does fentanyl’s protonated amine group aid receptor binding?