Preparing Chemical Libraries for Virtual Ligand Screening and Ligand Docking
Master essential techniques for preparing chemical libraries and conducting virtual ligand screening using ICM-Pro, focusing on efficient ligand docking methodologies and computational analysis.
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.
Geometric Probabilistic Models - Tutorial 4
Explore geometric probabilistic models for data-efficient, uncertainty-aware decision-making in applications like drug design and robotics. Learn theory and implementation of Gaussian processes and related techniques.
Machine Learning for Early Stage Drug Design - Property Prediction and Molecule Generation
Explore cutting-edge applications of machine learning in early-stage drug design, focusing on property prediction and molecule generation techniques for pharmaceutical development.
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.
How AI Is Saving Billions of Years of Human Research Time | Max Jaderberg | TED
Research scientist Max Jaderberg explores how "AI analogs" can simulate real-world lab work at incredible speed and scale, drawing on his experience with Google DeepMind's AlphaFold 3 to show how AI accelerates protein folding and drug discovery research.