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Accelerating antiviral drug discovery: lessons from COVID-19
During the coronavirus disease 2019 (COVID-19) pandemic, a wave of rapid and
collaborative drug discovery efforts took place in academia and industry, culminating in …
collaborative drug discovery efforts took place in academia and industry, culminating in …
Artificial intelligence, machine learning, and drug repurposing in cancer
Z Tanoli, M Vähä-Koskela… - Expert opinion on drug …, 2021 - Taylor & Francis
Introduction: Drug repurposing provides a cost-effective strategy to re-use approved drugs
for new medical indications. Several machine learning (ML) and artificial intelligence (AI) …
for new medical indications. Several machine learning (ML) and artificial intelligence (AI) …
Database resources of the National Center for Biotechnology Information in 2023
Abstract The National Center for Biotechnology Information (NCBI) provides online
information resources for biology, including the GenBank® nucleic acid sequence database …
information resources for biology, including the GenBank® nucleic acid sequence database …
Understanding the limitations of deep models for molecular property prediction: Insights and solutions
Abstract Molecular Property Prediction (MPP) is a crucial task in the AI-driven Drug
Discovery (AIDD) pipeline, which has recently gained considerable attention thanks to …
Discovery (AIDD) pipeline, which has recently gained considerable attention thanks to …
Identification of SARS-CoV-2 3CL protease inhibitors by a quantitative high-throughput screening
W Zhu, M Xu, CZ Chen, H Guo, M Shen… - ACS pharmacology & …, 2020 - ACS Publications
The outbreak of coronavirus disease 2019 (COVID-19) caused by severe acute respiratory
syndrome coronavirus 2 (SARS-CoV-2) has emphasized the urgency to develop effective …
syndrome coronavirus 2 (SARS-CoV-2) has emphasized the urgency to develop effective …
DrugCentral 2021 supports drug discovery and repositioning
DrugCentral is a public resource (http://drugcentral. org) that serves the scientific community
by providing up-to-date drug information, as described in previous papers. The current …
by providing up-to-date drug information, as described in previous papers. The current …
An enzymatic TMPRSS2 assay for assessment of clinical candidates and discovery of inhibitors as potential treatment of COVID-19
SARS-CoV-2 is the viral pathogen causing the COVID19 global pandemic. Consequently,
much research has gone into the development of preclinical assays for the discovery of new …
much research has gone into the development of preclinical assays for the discovery of new …
Lessons from the COVID-19 pandemic for advancing computational drug repurposing strategies
Responding quickly to unknown pathogens is crucial to stop uncontrolled spread of
diseases that lead to epidemics, such as the novel coronavirus, and to keep protective …
diseases that lead to epidemics, such as the novel coronavirus, and to keep protective …
AI-accelerated protein-ligand docking for SARS-CoV-2 is 100-fold faster with no significant change in detection
Protein-ligand docking is a computational method for identifying drug leads. The method is
capable of narrowing a vast library of compounds down to a tractable size for downstream …
capable of narrowing a vast library of compounds down to a tractable size for downstream …
Nanotechnology-based rose Bengal: A broad-spectrum biomedical tool
Rose Bengal is an anionic xanthene dye, a derivative of fluorescein, born in the 19th century
as a textile dye; to date, it is known primarily in ophthalmology as a diagnostic tool and …
as a textile dye; to date, it is known primarily in ophthalmology as a diagnostic tool and …