NIH-sponsored Workshop on
Theoretical and Computational Biophysics
Urbana, IL
September 25-29, 2017

"Hands-on" Workshop on Enhanced Sampling and Free-Energy Calculation at Urbana, IL

Protein Unfolding by ClpX Unfoldase

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.

September 25-29, 2017

University of Illinois, Urbana-Champaign

Urbana, IL

Emad Tajkhorshid
Chris Chipot
Wei Jiang
Giacomo Fiorin
Brian K. Radak
Mahmoud Moradi

General Questions:


No registration fee. Enrollment limited to 25 participants. The workshop can neither fund nor arrange participant travel or housing.

Significant Dates
Date (in 2017):
Application deadline for full consideration:
August 11
Selection and notification of participants by:
August 18
Confirmation of attendance by participants due by:
August 25

The workshop will be held at the University of Illinois, Urbana-Champaign and is sponsored by:
National Institute of General Medical Sciences
NIH Center for Macromolecular Modeling and Bioinformatics (NIH 9P41GM104601)
NIH Hands-on Workshops on Computational Biophysics (NIH 1R25GM103771-01)
The Blue Waters System at the National Center for Supercomputing Applications at the University of Illinois

Workshop advertised in part via a posting to the Computational Chemistry List (
Last updated: August 29 2017
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