Related papers: Drug Repurposing Targeting COVID-19 3CL Protease u…
The issue of COVID-19, increasing with a massive mortality rate. This led to the WHO declaring it as a pandemic. In this situation, it is crucial to perform efficient and fast diagnosis. The reverse transcript polymerase chain reaction…
The field of machine learning for drug discovery is witnessing an explosion of novel methods. These methods are often benchmarked on simple physicochemical properties such as solubility or general druglikeness, which can be readily…
With the huge spike in the COVID-19 cases across the globe and reverse transcriptase-polymerase chain reaction (RT-PCR) test remains a key component for rapid and accurate detection of severe acute respiratory syndrome coronavirus 2…
Structure-based Deep Fusion models were recently shown to outperform several physics- and machine learning-based protein-ligand binding affinity prediction methods. As part of a multi-institutional COVID-19 pandemic response, over 500…
Molecular docking is an important tool for structure-based drug design, accelerating the efficiency of drug development. Complex and dynamic binding processes between proteins and small molecules require searching and sampling over a wide…
The ongoing COVID-19 pandemic continues to pose significant challenges to global public health, despite the widespread availability of vaccines. Early detection of the disease remains paramount in curbing its transmission and mitigating its…
Novel Coronavirus (COVID-19) has drastically overwhelmed more than 200 countries affecting millions and claiming almost 1 million lives, since its emergence in late 2019. This highly contagious disease can easily spread, and if not…
We investigate the learning of quantitative structure activity relationships (QSARs) as a case-study of meta-learning. This application area is of the highest societal importance, as it is a key step in the development of new medicines. The…
Virtual screening, which identifies potential drugs from vast compound databases to bind with a particular protein pocket, is a critical step in AI-assisted drug discovery. Traditional docking methods are highly time-consuming, and can only…
COVID-19 was first discovered in December 2019 and has continued to rapidly spread across countries worldwide infecting thousands and millions of people. The virus is deadly, and people who are suffering from prior illnesses or are older…
The outbreak of novel coronavirus disease (COVID- 19) has claimed millions of lives and has affected all aspects of human life. This paper focuses on the application of deep learning (DL) models to medical imaging and drug discovery for…
Motivation: The coronavirus disease 2019 (COVID-19) caused by a new type of coronavirus has been emerging from China and led to thousands of death globally since December 2019. Despite many groups have engaged in studying the newly emerged…
In a worldwide health crisis as exigent as COVID-19, there has become a pressing need for rapid, reliable diagnostics. Currently, popular testing methods such as reverse transcription polymerase chain reaction (RT-PCR) can have high false…
Docking is a crucial component in drug discovery aimed at predicting the binding conformation and affinity between small molecules and target proteins. ML-based docking has recently emerged as a prominent approach, outpacing traditional…
The identification of protein-ligand interaction plays a key role in biochemical research and drug discovery. Although deep learning has recently shown great promise in discovering new drugs, there remains a gap between deep learning-based…
Under the global health emergency caused by coronavirus disease 2019 (COVID-19), efficient and specific therapies are urgently needed. Compared with traditional small-molecular drugs, antibody therapies are relatively easy to develop and as…
The COVID19 pandemic, a unique and devastating respiratory disease outbreak, has affected global populations as the disease spreads rapidly. Recent Deep Learning breakthroughs may improve COVID19 prediction and forecasting as a tool of…
The pandemic of coronavirus disease 2019 (COVID-19) has lead to a global public health crisis spreading hundreds of countries. With the continuous growth of new infections, developing automated tools for COVID-19 identification with CT…
The recent global pandemic of Coronavirus Disease 2019 (COVID-19) caused by the new coronavirus SARS-CoV-2 presents an urgent need for new therapeutic candidates. Many efforts have been devoted to screening existing drug libraries with the…
The accurate screening of candidate drug ligands against target proteins through computational approaches is of prime interest to drug development efforts. Such virtual screening depends in part on methods to predict the binding affinity…