Science
Exploring the exaspace in 3D. Is it worth?
Ligand-based virtual screening is a well-known technique to find hits in the early stages of a drug discovery program. In ligand-based tools,
June 15, 2023
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Ligand-based virtual screening is a well-known technique to find hits in the early stages of a drug discovery program. In ligand-based tools,
Commercial chemical libraries have witnessed remarkable growth in recent years, resulting in an unprecedented increase in size and diversity. With advancements in
Ligand-based virtual screening is essential in modern drug discovery workflows and PharmScreen® has been shown to find novel molecules through its unique
An exponential growth of the accessible chemical space In the last years, there has been an exponential growth in commercial chemical libraries
By Enric Gibert On May 30th 2022, the Top500 High-Performance Computing (HPC) list revealed the first exa-scale HPC system ever constructed: the
By Enric Gibert In one of my trips to Boston, I found a very good introduction to neural networks and deep learning.
By Giorgia Zaetta There are more than six hundred and seventy-five duodecillion possible chemical structures, but only a part of them, approximately
By Ricardo Garcia The intersection of quantum computation and chemistry Many problems in chemistry have to do with quantum nature of electrons.