Drug repurposing, also known as drug redirecting, is a novel approach to reuse and explore
an approved, failed, or abandoned drug and redirecting it toward a new therapeutic …

This thesis thoroughly analyzed the sequence, structure, and molecular interactions of the
two major classes of protein kinases-eukaryotic and atypical. This analysis was intended to …

Abstract As the Big Data and Artificial Intelligence (AI) revolution continues to affect every
area of our lives, it's influence is also exerted in the areas of bioinformatics, computational …

Ribonucleic acid (RNA) is a polymeric nucleic acid that plays a variety of critical roles in
gene expression and regulation at the level of transcription and translation. Recently, there …

Molecular recognition forms the basis of all protein interactions, and therefore is crucial for
maintaining biological functions and pathways. It can be governed by many factors, but in …

In recent times, our healthcare system is being challenged by many drug-resistant
microorganisms and ageing-associated diseases for which we do not have any drugs or …

Cancers are commonly treated with drugs that are unspecific (eg, sunitinib [1]) and rather
toxic (eg, cisplatin [2]). These chemotherapies affect healthy and diseased cells …

The structured nature of chemical data means machine learning models trained to predict
protein-ligand binding risk overfitting the data, impairing their ability to generalise and make …

Chemicals such as drugs, hormones, and odorants can have many potential interactions
with endogenous targets, and uncovering these relationships is critical for understanding …