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

From 19-23 September 2016, JSC will again host the CECAM tutorial "Atomistic Monte Carlo Simulations of Bio-molecular Systems" organized by SimLab Biology at JSC. Participants will be given an in-depth introduction to the theory and practice of simulating proteins and other biomolecules by atomistic Markov chain Monte Carlo (MC) methods. These methods are a computationally efficient alternative to molecular dynamics simulations, in particular for studying processes that act on longer time scales such as protein folding and peptide aggregation. While there are numerous training courses for molecular dynamics, students rarely get useful exposure to Monte Carlo techniques. To fill this gap, CECAM (Centre Européen de Calcul Atomique et Moléculaire) is now funding this five-day tutorial for the second time. The open-source protein folding and aggregation package ProFASi developed at SimLab Biology will be used as a demonstration tool for the highly transferrable MC techniques. Participants will have access to JURECA for realistic tests of advanced parallel simulation techniques like replica exchange MC or Wang-Landau. Interested researchers can still apply and obtain detailed information on the tutorial content on the web page for the CECAM school: http://www.cecam.org/workshop-1339.html.
(Contact: Dr. Sandipan Mohanty, s.mohanty@fz-juelich.de)

JSC News No. 242, 16 June 2016