Efficient Calculations of Electronic Structures with Machine-Learning Models
Explore machine learning models for efficient electronic structure calculations in materials discovery and drug design, focusing on density functional theory and the Materials Learning Algorithms library.
The Frontiers of Modeling Atoms with AI
Explore cutting-edge AI applications in atomic modeling, focusing on drug discovery and climate change solutions, with insights into machine learning potentials and renewable fuel synthesis catalysts.
Artificial Intelligence for Protein Modeling - DNA, RNA and Ion Docking Explained
Discover how AlphaFold3 revolutionizes structural biology through AI-powered protein modeling, enabling accurate predictions of 3D molecular structures, DNA/RNA interactions, and protein-protein binding mechanisms.
Structure-Based Virtual Ligand Screening with ICM-Pro
Master structure-based virtual ligand screening techniques using ICM-Pro software, from project setup and file preparation to running screens, analyzing results, and creating hitlists.