Target identification is an important step in drug discovery, and computer-aided drug target
identification methods are attracting more attention compared with traditional drug target …

The introduction of computational techniques to pharmaceutical chemistry and molecular
biology in the 20th century has changed the way people develop drugs. The computeraided …

Drug-like compounds are most of the time denied approval and use owing to the
unexpected clinical side effects and cross-reactivity observed during clinical trials. These …

The drug development is generally arduous, costly, and success rates are low. Thus, the
identification of drug-target interactions (DTIs) has become a crucial step in early stages of …

In the field of medicinal chemistry there is increasing focus on identifying key proteins whose
biochemical functions can firmly be linked to serious diseases. Such proteins become …

Background: From a therapeutic viewpoint, understanding how drugs bind and regulate the
functions of their target proteins to protect against disease is crucial. The identification of …

Assessing whether a protein structure is a good target or not before actually doing structure-
based drug design on it is an important step to speed up the ligand discovery process. This …

Drug discovery is a daunting and failure‐prone task. A critical process in this research field
is represented by the biological target and pocket identification steps as they heavily …

Target identification for bioactive molecules augments modern drug discovery efforts in a
range of applications, from the elaboration of mode‐of‐action of drugs to the drug …

Target selection is a critical step in the majority of modern drug discovery programs. The
viability of a drug target depends on two components: biological relevance and chemical …