Computational approaches streamlining drug discovery
AV Sadybekov, V Katritch - Nature, 2023 - nature.com
Computer-aided drug discovery has been around for decades, although the past few years
have seen a tectonic shift towards embracing computational technologies in both academia …
have seen a tectonic shift towards embracing computational technologies in both academia …
The transformational role of GPU computing and deep learning in drug discovery
Deep learning has disrupted nearly every field of research, including those of direct
importance to drug discovery, such as medicinal chemistry and pharmacology. This …
importance to drug discovery, such as medicinal chemistry and pharmacology. This …
Artificial intelligence–enabled virtual screening of ultra-large chemical libraries with deep docking
With the recent explosion of chemical libraries beyond a billion molecules, more efficient
virtual screening approaches are needed. The Deep Docking (DD) platform enables up to …
virtual screening approaches are needed. The Deep Docking (DD) platform enables up to …
Current trends in computer aided drug design and a highlight of drugs discovered via computational techniques: A review
Computer-aided drug design (CADD) is one of the pivotal approaches to contemporary pre-
clinical drug discovery, and various computational techniques and software programs are …
clinical drug discovery, and various computational techniques and software programs are …
Integrating QSAR modelling and deep learning in drug discovery: the emergence of deep QSAR
Quantitative structure–activity relationship (QSAR) modelling, an approach that was
introduced 60 years ago, is widely used in computer-aided drug design. In recent years …
introduced 60 years ago, is widely used in computer-aided drug design. In recent years …
[HTML][HTML] Insights into SARS-CoV-2 genome, structure, evolution, pathogenesis and therapies: Structural genomics approach
The sudden emergence of severe respiratory disease, caused by a novel severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2), has recently become a public health …
respiratory syndrome coronavirus 2 (SARS-CoV-2), has recently become a public health …
Drug repurposing approach to fight COVID-19
Currently, there are no treatment options available for the deadly contagious disease,
coronavirus disease 2019 (COVID-19). Drug repurposing is a process of identifying new …
coronavirus disease 2019 (COVID-19). Drug repurposing is a process of identifying new …
Map** the landscape of artificial intelligence applications against COVID-19
COVID-19, the disease caused by the SARS-CoV-2 virus, has been declared a pandemic by
the World Health Organization, which has reported over 18 million confirmed cases as of …
the World Health Organization, which has reported over 18 million confirmed cases as of …
A critical overview of computational approaches employed for COVID-19 drug discovery
COVID-19 has resulted in huge numbers of infections and deaths worldwide and brought
the most severe disruptions to societies and economies since the Great Depression …
the most severe disruptions to societies and economies since the Great Depression …
Advances in de novo drug design: from conventional to machine learning methods
De novo drug design is a computational approach that generates novel molecular structures
from atomic building blocks with no a priori relationships. Conventional methods include …
from atomic building blocks with no a priori relationships. Conventional methods include …