|CCL 17.09.25 Hands-On Workshop on Enhanced Sampling and Free Energy Calculations, University of Illinois at Urbana-Champaign|
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To: chemistry-request at ccl.net
Date: Fri Jul 21 17:08:25 2017
Subject: 17.09.25 Hands-On Workshop on Enhanced Sampling and Free Energy Calculations, University of Illinois at Urbana-Champaign
This workshop will be presented by members of the NIH Center for Macromolecular Modeling & Bioinformatics at Urbana-Champaign, and by invited global leaders and developers of the covered methods. Topics will cover instructions in state-of-the-art molecular dynamics (MD) simulations, enhanced sampling techniques and free-energy calculations using NAMD. The simulations will be prepared and analyzed using the molecular visualizer VMD. Morning lectures will introduce fundamental theory and concepts, while afternoon hands-on computer laboratory sessions will allow participants to apply NAMD and VMD directly in a series of guided tutorials. The workshop is designed for advanced NAMD users conducting research projects in computational and/or biophysical fields seeking extend their expertise in MD simulations. It is required that the participants possess extensive knowledge in preparing and executing MD simulations in VMD and NAMD. Enrollment is limited to 25 participants. For more information see http://www.ks.uiuc.edu/Training/Workshop/Urbana2017b/NOTE THAT E-MAIL ADDRESSES HAVE BEEN MODIFIED!!!
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