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CECAM Tutorial: Atomistic Monte Carlo Simulations of Bio-molecular Systems

Only a few bio-molecular processes happen on the microsecond time scale. Most take milliseconds or longer. This makes them inaccessible to atomistic molecular dynamics simulations. Atomistic Markov Chain Monte Carlo (MCMC), on the other hand, is a statistical method that is less sensitive to time scales and can be employed to study the thermodynamics of such processes. The Simulation Laboratory Biology is developing the open-source software package ProFASi to enable scientists to perform statistical investigations of bio-molecular systems using MCMC techniques.

From 15 to 19 September 2014, the SimLab Biology will hold a CECAM tutorial on atomistic Monte Carlo simulations of bio-molecular systems. Invited speakers and members of the SimLab will give lectures and practical sessions on the topic. These will be accompanied by hands-on sessions using ProFASi. Participants will learn how to perform and analyse MCMC simulations of bio-molecular systems. They will understand the principles behind this technique and recognize when MCMC would be helpful in their research and when not. Further information is available at http://www.cecam.org/workshop-1067.html.
(Contact: Dr. Sandipan Mohanty, s.mohanty@fz-juelich.de)


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