This course offers a comprehensive introduction to molecular dynamics (MD) simulations using the YASARA software, focusing on its application in computational biology and drug discovery. Students will begin with an overview of molecular dynamics, learning key concepts, theories, and workflows essential to MD studies. The course then dives into YASARA, a powerful, user-friendly tool widely used for biomolecular simulations. With hands-on exercises, participants will gain practical skills in setting up, running, and analyzing MD simulations with YASARA. By the end of the course, students will understand MD fundamentals and be equipped to utilize YASARA software effectively for simulating molecular systems, preparing them for advanced computational studies in molecular biology and pharmacology.

1. Introduction to Molecular Dynamics
2. Molecular Dynamics Theory and Workflow
3. Introduction to YASARA Software
4. Hands-On Molecular Dynamics with Yasara