Methodology-centered review of molecular modeling, simulation, and prediction of SARS-CoV-2
Despite tremendous efforts in the past two years, our understanding of severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …
The impact of structural bioinformatics tools and resources on SARS-CoV-2 research and therapeutic strategies
SARS-CoV-2 is the causative agent of COVID-19, the ongoing global pandemic. It has
posed a worldwide challenge to human health as no effective treatment is currently …
posed a worldwide challenge to human health as no effective treatment is currently …
Natural compounds inhibit SARS-CoV-2 nsp13 unwinding and ATPase enzyme activities
SARS-CoV-2 infection is still spreading worldwide, and new antiviral therapies are an urgent
need to complement the approved vaccine preparations. SARS-CoV-2 nps13 helicase is a …
need to complement the approved vaccine preparations. SARS-CoV-2 nps13 helicase is a …
2D MXenes with antiviral and immunomodulatory properties: a pilot study against SARS-CoV-2
Two-dimensional transition metal carbides/carbonitrides known as MXenes are rapidly
growing as multimodal nanoplatforms in biomedicine. Here, taking SARS-CoV-2 as a model …
growing as multimodal nanoplatforms in biomedicine. Here, taking SARS-CoV-2 as a model …
Cytopathic SARS-CoV-2 screening on VERO-E6 cells in a large-scale repurposing effort
Worldwide, there are intensive efforts to identify repurposed drugs as potential therapies
against SARS-CoV-2 infection and the associated COVID-19 disease. To date, the anti …
against SARS-CoV-2 infection and the associated COVID-19 disease. To date, the anti …
A blueprint for high affinity SARS-CoV-2 Mpro inhibitors from activity-based compound library screening guided by analysis of protein dynamics
The SARS-CoV-2 coronavirus outbreak continues to spread at a rapid rate worldwide. The
main protease (Mpro) is an attractive target for anti-COVID-19 agents. Unexpected …
main protease (Mpro) is an attractive target for anti-COVID-19 agents. Unexpected …
A computational approach for the screening of potential antiviral compounds against SARS-CoV-2 protease: Ionic liquid vs herbal and natural compounds
The current scenario across the globe shows unprecedented healthcare and an economic
crisis due to the Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) …
crisis due to the Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) …
SARS‐CoV‐2 structural coverage map reveals viral protein assembly, mimicry, and hijacking mechanisms
We modeled 3D structures of all SARS‐CoV‐2 proteins, generating 2,060 models that span
69% of the viral proteome and provide details not available elsewhere. We found that˜ 6% of …
69% of the viral proteome and provide details not available elsewhere. We found that˜ 6% of …
MEDIATE-Molecular DockIng at homE: Turning collaborative simulations into therapeutic solutions
Introduction Collaborative computing has attracted great interest, enabling researchers
worldwide to come together and work seamlessly. Its relevance has never been so apparent …
worldwide to come together and work seamlessly. Its relevance has never been so apparent …
Drug repositioning: A bibliometric analysis
G Sun, D Dong, Z Dong, Q Zhang, H Fang… - Frontiers in …, 2022 - frontiersin.org
Drug repurposing has become an effective approach to drug discovery, as it offers a new
way to explore drugs. Based on the Science Citation Index Expanded (SCI-E) and Social …
way to explore drugs. Based on the Science Citation Index Expanded (SCI-E) and Social …