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Molecular Modeling with Schrödinger-Suite Workshop @ LRZ

05.Dec.2017 10:00
07.Dec.2017 17:00
LRZ, Garching

The LRZ Staff together with Schrödinger software experts will conduct a "Molecular Modelling and the Schrödinger software suite" workshop 2017 at the LRZ from Dec. 5 to Dec.7. The workshop will cover fundamental principles and concepts of molecular modeling with an emphasis on molecular dynamics. We will introduce the software packages VMD, NAMD and CPMD and how to use them on HPC systems and the Remote Visualisation Server of the LRZ. The workshop addresses people with a basic understanding of molecular simulations. (e.g. nano-scientists, biologists, physicists or researchers from life-science). The third day is devoted to the Schrödinger software suite, providing a diverse set of tools for modeling and computing the structure and properties of chemical systems, antibodies and proteins. It includes applications for e.g. quantum mechanics, homology modeling, and docking. The integrated high-performance graphical interface 'Maestro' is used for preparing, running, and analyzing the computational results of the various applications.