NIH-sponsored Workshop on
Theoretical and Computational Biophysics
Urbana, IL
September 10-14, 2018

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

We are pleased to invite you for the second edition of the "Hands-On" Computational Biophysics Workshop series dedicated to Enhanced Sampling and Free-Energy Calculation. The workshop is organized by the NIH Center for Macromolecular Modeling and Bioinformatics of the University of Illinois at Urbana-Champaign and will be held at the Beckman Institute, in Urbana - IL, from 10-14 of September 2018.

This workshop will be presented by members of the NIH Center, and by invited global leaders and developers of the methods and techniques covered. Topics will include instructions in state-of-the-art molecular dynamics (MD) simulations, enhanced sampling techniques and free-energy calculations using NAMD. To prepare and analyze the simulations, participants will be 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 to 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 10-14, 2018

University of Illinois, Urbana-Champaign

Urbana, IL


Emad Tajkhorshid
Chris Chipot
Brian K. Radak
Jérôme Hénin
Wei Jiang
Mahmoud Moradi

General Questions:


Significant Dates
Date (in 2018):
Application deadline for full consideration:
Friday, August 3rd
Selection and notification of participants by:
Ongoing through August 10th
Confirmation of attendance by participants due by:
Two days after acceptance notice

Coffee breaks and lunches will be provided during the workshop. Attendants are, however, responsible for finding their own accommodation and arrange transportation to and from Urbana.

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 P41GM104601)
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: January 10, 2018
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