Summer School on Molecular Modeling at Leipzig University

/ June 10, 2013/ Events

Prof. Dr. Terry Lybrand, Vanderbilt University Nashville, USA
10. – 12. July 2013, Leipzig University

Course description: This short course will cover basic background information and applications details for molecular mechanics calculations, including energy minimization and molecular dynamics simulations. Some basic theory will be presented, but the course will focus primarily on practical details for molecular mechanics calculations and will include numerous “hands-on” exercises, i.e., the students will get the opportunity to perform all necessary steps for typical calculations. We will discuss the capabilities and limitations of different types of calculations, the information required to perform useful calculations, and analysis techniques to allow you to extract useful information from these calculations. Most exercises will involve calculations for large biological molecules, but the methods presented are suitable for a wide range of chemistry applications.

My goal in this short course is not to make you an expert user, as that is not possible in only three days. Instead, I hope that after this course you will be better able to evaluate calculations reported by others in seminars or literature, and able to judge whether a molecular mechanics calculation might be appropriate and useful for some of your research problems. The course ends with a practical exam.

The course schedule presented below describes the general sequence of topics, but is flexible to allow as much time as necessary to cover important issues and to address all questions that may arise during the exercises. No previous experience with molecular mechanics calculations is necessary. However, it would be extremely helpful if all students had some practical experience with the Linux operating system before the course begins (you do not need to be a Linux expert).

Venue: BBZ, HS 2, Deutscher Platz 5, 04107 Leipzig

Credit Points: 2 (graded)

Registration: If you want to attend the summer school, please register by sending an e-mail to Anett Albrecht