Introduction to Molecular Dynamics Simulations of Biological Systems

Pallavi Banerjee (MPIKG)
  • What ss19
  • When Mar 28, 2019 from 11:00 AM to 12:00 PM (Europe/Berlin / UTC100)
  • Where Theory Seminar Room at the MPIKG
  • Contact Name
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The study of molecular structure and interactions is crucial in the understanding of biology. Molecular recognition patterns, as dictated by structural information, aid in deciphering important biological phenomena like protein-protein and protein-membrane interactions, enzyme mechanisms, transport across cell membranes and a lot more. Such processes occur at timescales and lengthscales inaccessible by experimental techniques. Here comes the role of Molecular Dynamics (MD) simulations in providing invaluable data on the structure, dynamics and thermodynamics of biological macromolecules and complexes. This week-long, intensive workshop plans to provide an introduction to MD simulations. The course would consist of an overview of the basic principles of MD, followed by hands-on tutorials on simulating and analyzing two systems: (a) protein in water; (b) hydrated lipid bilayer. The course demands no prerequisites as all the necessary technical tools would be taught simultaneously. The goal is to enable the students to get into the groove of molecules to move.

Introductory/info session: 28th March, 2019 at 11:00 am in the Theory Seminar Room at the MPIKG