Background: In the last few years, in silico tools, including drug repurposing coupled with
structure-based virtual screening, have been extensively employed to look for anti-COVID …

The COVID-19 outbreak and the pandemic situation have hastened the research community
to design a novel drug and vaccine against its causative organism, the SARS-CoV-2. The …

Depression severely impairs the health of people all over the world. Cognitive dysfunction
due to depression has resulted in a severe economic burden to family and society induced …

Background: The RNA-dependent RNA polymerase (RdRp) complex, essential in viral
transcription and replication, is a key target for antiviral therapeutics. The core unit of RdRp …

Understanding mechanisms of allosteric regulation remains elusive for the SARS-CoV-2
spike protein, despite the increasing interest and effort in discovering allosteric inhibitors of …

Abstract Context SARS-CoV-2, responsible for COVID-19, has led to over 500 million
infections and more than 6 million deaths globally. There have been limited effective …

The Zika virus (ZIKV), a member of the Flaviviridae family, poses a major threat to human
health because of the lack of effective antiviral drugs. Although the NS2B–NS3 protease of …

The use of computer simulation methods has become an indispensable component in
identifying drugs against the SARS-CoV-2 coronavirus. There is a huge body of literature on …

Protein three-dimensional structural analysis using artificial intelligence is attracting
attention in various fields, such as the estimation of vaccine structure and stability. In …

The pandemic caused by the emergence of the severe acute respiratory syndrome
coronavirus 2 (SARS-CoV-2) in 2019 has caused a global public health crisis of nearly …