The program provides an overview on main approaches and techniques used in computational drug design, ranging from protein modeling, docking, pharmacophore based screening, up to machine learning and data science. During the afternoon sessions the participants will have the opportunity to obtain hands-on training via computational exercises.
Topics Coverage
- Structure-based Design & Molecular Dynamics Simulations
- Machine Learning & Deep Learning in Drug Design
- Pharmacophore Modeling
- in silico Toxicology
- Open Data, Open Tools, Open Knowledge
- Case Studies from Industry
