Molecular_Dynamics Archives | Arturo Robertazzi

AI in Drug Discovery: Chasing Dreams, Facing Realities

is AI the real deal in drug discovery? And if it is, how exactly is it going to disrupt the drug discovery process?

Machine learning is all over: drug discovery, material design, protein structure prediction. As computational chemists, should we be worried?

From Friday night experiments to the Nobel Prize, let’s walk Andre Geim’s random walk to the discovery of graphene.

Chemical simulations as the third pillar of research and development? From atomistic insights to sustainability, explore 14 reasons why.

From today’s computers in chemistry to 4 future scenarios of scientific discovery: A post-vacation musing.

Noncovalent interactions in proteins: the flexible wonders that bestow proteins the magic of three-dimensionality.

Multiscale simulations of DNA to tackle a challenge of epic proportions: Embark on a computational journey into the essence of our being.

You wake up and brew yourself a refreshing cup of coffee. Your calendar says it’s 2043. Time to run your daily computational chemistry simulations.