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Functional and druggability analysis of the SARS-CoV-2 proteome
(Elsevier, 2021-01)
Abstract
The infectious coronavirus disease (COVID-19) pandemic, caused by the coronavirus SARS-CoV-2, appeared in December 2019 in Wuhan, China, and has spread worldwide. As of today, more than 46 million people have ...
Evaluation of Silicone Fluids and Resins as CO2 Thickeners for Enhanced Oil Recovery Using a Computational and Experimental Approach
(American Chemical Society [Society Publisher], 2021-09)
Abstract
CO2 thickeners have the potential to be a game changer for enhanced oil recovery, carbon capture utilization and storage, and hydraulic fracturing. Thickener design is challenging due to polymers' low solubility ...
A Machine Learning Model to Predict Drug Transfer Across the Human Placenta Barrier
(Frontiers Media, 2021-07-01)
Abstract
The development of computational models for assessing the transfer of chemicals across the placental membrane would be of the utmost importance in drug discovery campaigns, in order to develop safe therapeutic ...
Artificial intelligence in the early stages of drug discovery
(Elsevier, 2021-02)
Abstract
Although the use of computational methods within the pharmaceutical industry is well established, there is an urgent need for new approaches that can improve and optimize the pipeline of drug discovery and ...