Drug repositioning is the process of identifying novel therapeutic potentials for existing drugs
and discovering therapies for untreated diseases. Drug repositioning, therefore, plays an …

In this review, we outline recent advancements in small molecule drug design from a
structural perspective. We compare protein structure prediction methods and explore the …

Abstract The HDOCK server (http://hdock. phys. hust. edu. cn/) is a highly integrated suite of
homology search, template-based modeling, structure prediction, macromolecular docking …

The post-infection of COVID-19 includes a myriad of neurologic symptoms including
neurodegeneration. Protein aggregation in brain can be considered as one of the important …

The outbreak of a novel coronavirus, which was later formally named the severe acute
respiratory coronavirus 2 (SARS-CoV-2), has caused a worldwide public health crisis …

Protein interactions are key in vital biological processes. In many cases, particularly in
regulation, this interaction is between a protein and a shorter peptide fragment. Such …

Growing cases of patients reported have shown a potential relationship between (severe
acute respiratory syndrome coronavirus 2) SARS-CoV-2 infection and Parkinson's disease …

Motivation Understanding antibody–antigen interactions is key to improving their binding
affinities and specificities. While experimental approaches are fundamental for developing …

The biological significance of proteins attracted the scientific community in exploring their
characteristics. The studies shed light on the interaction patterns and functions of proteins in …

In the latest few decades, molecular docking has imposed itself as one of the most used
approaches for computational drug discovery. Several docking benchmarks have been …