NIH-sponsored workshops on Theoretical and Computational Biophysics
University of Illinois at Urbana-Champaign

Workshop on Cryo-EM Modeling Based on X-ray Crystallography

HIV Capsid

The purpose of the workshop is to present recent developments in the area of cryo-EM guided modeling of macromolecular structures and to provide the participants with simple, practical experience in using these methods. In particular, the workshop will cover NAMD and VMD, Molecular Dynamics Flexible Fitting (MDFF) and DireX. Relevant physical concepts, mathematical algorithms, and computational methods will be introduced, including molecular dynamics simulation, de novo structure determination based on cryo-EM maps, deformable elastic networks, stereochemical validation of proteins and nucleic acids, and quality checks of fitted structures. Specific examples utilizing the MDFF and DireX programs will be introduced and discussed in detail. Participants are invited and encouraged to bring their own molecular modeling problems to the workshop, for group discussion of how to address those problems via a computational approach. The workshop will be presented by members of the Theoretical and Computational Biophysics Group from the University of Illinois at Urbana-Champaign and members of the Computational Structural Biology Group from the Forschungszentrum Julich.

The workshop is designed for researchers in the fields of cryo-electron microscopy who seek to fit molecular structure from x-ray crystallography into cryo-EM density maps, and computational biophysicists who are interested in cryo-EM guided modeling method development. Advanced lecture sessions will be followed by extended discussion periods between lecturers and participants and laboratory time in which students will be able to work on hand-on tutorials and their own molecular modeling projects. Enrollment is limited to 20 participants. The workshop will be held January 8-10, 2014, in Urbana, Illinois. All participants are required to bring their own laptop for use in the workshop training sessions. Participants must arrange and pay for their own travel and accommodations. Registration fees and important dates are described below.

Computational Biophysics Workshops

January 8-10, 2014

Theoretical & Computational Biophysics Group
University of Illinois
Beckman Institute
405 N Mathews Ave
Urbana, IL 61801



K. Schulten
(U. Illinois)

Gunnar Schroeder
(Forschungszentrum Julich)



General Questions:

Send to friend


Registration fee: $75; fee is non-refundable. Enrollment limited to 20 participants. Participants must arrange and pay for their own travel and housing. The Illini Union Hotel and the Hampton Inn are nearby accommodations. More on travel to the Beckman Institute is available here, and on hotels here.

Significant Dates
Application deadline for full consideration:
December 17, 2013
Selection and notification of participants by:
December 20, 2013
Confirmation of attendance by participants due by:
Two days after acceptance notice
Payment of workshop fee due by:
Five business days after confirming attendance

The workshop will be held at the Beckman Institute on the UIUC campus and is sponsored by:
National Institute of General Medical Sciences
NIH Center for Macromolecular Modeling and Bioinformatics (NIH 9P41GM104601)
Last Updated: September 12, 2013
Report errors to the webmaster