Dive into a comprehensive virtual screening lab session from the 2024 Machine Learning for Drug Discovery Summer School hosted at Mila. Learn from experts Lu Zhu and Cas Wognum as they guide you through essential techniques and methodologies in this 1-hour 23-minute recording. Explore cutting-edge approaches to virtual screening in drug discovery, gaining valuable insights and practical knowledge applicable to your research or professional endeavors in the field of computational drug design.
Overview
Syllabus
Lab 1 - Virtual Screening
Taught by
Valence Labs
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Virtual Screening Explanation - Lab 1
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Computer-Aided Drug Design
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Preparing Chemical Libraries for Virtual Ligand Screening and Ligand Docking
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Binding Affinity Prediction with ML-Based Docking - Lab 2
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Binding Affinity Prediction with Machine Learning-Based Docking - Lab 2
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Machine Learning in Structure-Based Drug Discovery - Day 2
