Evolution of Artificial Intelligence-Powered Technologies in Biomedical Research and Healthcare.

Artificial intelligence represents a powerful computational tool to analyze large amounts of data with and without supervision. Such powerful techniques have significantly impacted the advancement of multiple sectors from social media to data security, the automotive industry, gaming, finances, and healthcare. Only recently, however, artificial intelligence has been making significant strides in healthcare and biomedical research.

Machine-learning methods for ligand-protein molecular docking.

Artificial intelligence (AI) is often presented as a new Industrial Revolution. Many domains use AI, including molecular simulation for drug discovery. In this review, we provide an overview of ligand-protein molecular docking and how machine learning (ML), especially deep learning (DL), a subset of ML, is transforming the field by tackling the associated challenges.