All along the drug development process, one of the most frequent adverse side effects,
leading to the failure of drugs, is the cardiac arrhythmias. Such failure is mostly related to the …

Macrocycles occupy a unique segment of chemical space. In the past decade, their chemical
diversity expanded significantly, supported by advances in bioinformatics and synthetic …

Unlike other methods for docking ligands to the rigid 3D structure of a known protein
receptor, Glide approximates a complete systematic search of the conformational …

Glide's ability to identify active compounds in a database screen is characterized by
applying Glide to a diverse set of nine protein receptors. In many cases, two, or even three …

Macrocyclic natural products have evolved to fulfil numerous biochemical functions, and
their profound pharmacological properties have led to their development as drugs. A …

The role of the medicinal chemist in drug discovery has undergone major changes in the
past 25 years, mainly because of the introduction of technologies such as combinatorial …

In recent years, withdrawal of marketed drugs including sertindole, grepafloxacin, and
terfenadine owing to prolongation of the length of time between the start of the Q wave and …

More than 100 proteins necessary for eukaryotic cell growth, differentiation, and morphology
require posttranslational modification by the covalent attachment of an isoprenoid lipid …

A novel method for exploring macrocycle conformational space, Prime macrocycle
conformational sampling (Prime-MCS), is introduced and evaluated in the context of other …

Earning tenure at an academic institution and running a steeplechase race successfully
have a lot in common. Both require extensive training before the event begins, both involve …