Structure-Based Drug Design Courses and Certifications

Applied Algebraic Topology Network

Anthony Bak - Spaces of Shapes Persistent Homology for Drug Discovery

Explore persistent homology in drug discovery, focusing on structure-based design, chemical compound analysis, and machine learning applications for virtual screening and classification.

• YouTube
• 40 minutes
• On-Demand
• Free Video

Bioinformatics With BB

Molecular Docking with AutoDock VINA - Script-Based Method for Multiple Ligands

Learn script-based molecular docking with AutoDock Vina for virtual screening of multiple ligands. Explore conformational space, calculate binding energies, and identify potential lead compounds efficiently.

• YouTube
• 28 minutes
• On-Demand
• Free Video

Fields Institute

Cyclica Recursion - Innovations in Drug Discovery

Explore cyclic recursion in machine learning for drug discovery, featuring innovative approaches and industry applications in pharmaceutical research.

• YouTube
• 21 minutes
• On-Demand
• Free Video

MolSoft Molecules in Silico

Ligand Docking in ICM: Small Molecules, Fragments, Covalent and Template-Based Methods

Master ligand docking techniques in ICM-Pro, from pocket identification to covalent docking, enhancing your molecular modeling skills for drug discovery and design.

• YouTube
• 1 hour 2 minutes
• On-Demand
• Free Video

MolSoft Molecules in Silico

Computer-Driven Discovery of GPCR Ligands with New Chemotypes and Functional Selectivity

Explore computer-driven discovery of GPCR ligands, focusing on new chemotypes and functional selectivity. Learn structure-based techniques for rational ligand design and virtual screening.

• YouTube
• 32 minutes
• On-Demand
• Free Video

Toronto Machine Learning Series (TMLS)

AI-Aided Design of Novel Inhibitors Against SARS-CoV-2

Explore AI-driven drug design for SARS-CoV-2, focusing on 3CLpro inhibitors. Learn about deep Q-learning networks, fragment-based design, and structure-based optimization for developing potential lead compounds.

• YouTube
• 36 minutes
• On-Demand
• Free Video

Materials Cloud

Methods for Computational Biology and Drug Discovery

Explore fundamental computational methods in physics and chemistry, presented by their creators, with insights into their development and applications.

• YouTube
• 2 hours 29 minutes
• On-Demand
• Free Video

Valence Labs

Machine Learning in Structure-Based Drug Discovery - Day 2

Explore machine learning applications in structure-based drug discovery, focusing on innovative techniques and their impact on pharmaceutical research.

• YouTube
• 58 minutes
• On-Demand
• Free Video

Valence Labs

Binding Affinity Prediction with Machine Learning-Based Docking - Lab 2

Explore ML-based docking techniques for predicting binding affinity in drug discovery, featuring insights from experts Stephan Thaler and Cristian Gabellini.

• YouTube
• 1 hour 10 minutes
• On-Demand
• Free Video

Valence Labs

Binding Affinity Prediction with ML-Based Docking - Lab 2

Explore ML-based docking for binding affinity prediction in drug discovery, featuring insights from experts Stephan Thaler and Cristian Gabellini.

• YouTube
• 26 minutes
• On-Demand
• Free Video

Valence Labs

Lab 3 - De Novo Generation Explanation

Explore de novo molecule generation techniques with experts Emmanuel Bengio and Julien Roy in this recorded session from the 2024 Machine Learning for Drug Discovery Summer School.

• YouTube
• 1 hour 28 minutes
• On-Demand
• Free Video

MolSoft Molecules in Silico

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.

• YouTube
• 1 hour 3 minutes
• On-Demand
• Free Video