Computational Course I/2025

Summary: This one-semester course introduces molecular modeling and simulations with applications in biomedical sciences. It combines theoretical lectures with hands-on sessions where students will learn the steps to prepare a molecular dynamics (MD) simulations. The course takes a multidisciplinary approach, integrating physics, chemistry, and biophysics. It also includes modern visualization and analysis tools for PhD students from engineering and molecular backgrounds. Key topics include coarse-grained biomolecular simulations, drug binding, protein mutations, biomolecule stability, and single-molecule force spectroscopy simulations. The course is suitable for both theoretical and practical-oriented students.

Title: An introduction to molecular dynamics simulation and docking studies for applications in biomedical sciences
Scientific discipline: Biomedical Engineering
Start: March 26 from 1.00pm-2.45pm
Project duration: 15 lectures (theoretical and practical)
More information (more details)
If you are interested to join us, contact apoma@ippt.pan.pl


1. Introduction to molecular visualization of proteins. Materials before the course (download) - (March 26, 2025) (Slides).
2. Preparation of structures for molecular dynamics. Materials before the course Download 1 | Download 2 - (April 2, 2025). forest