During the week of the Membrane Protein Structural Dynamics Consortium (MPSDC)’s Frontiers in Membrane Protein Dynamics conference, a “hands-on” Workshop specifically dedicated to Membrane Protein Modeling will be held at The University of Chicago on Tuesday, May 1st. This Workshop is designed to provide an introduction to the most important computational tools and techniques used in molecular dynamics simulations of membrane proteins, including utilization of the programs NAMD and VMD.
The Workshop is co-organized by the Computational Modeling Core (CMC) of the MPSDC and the Theoretical and Computational Biophysics Group (TCBG) of the University of Illinois at Urbana-Champaign.
Register for the CMC Membrane Protein Workshop (required) »
The CMC Workshop will be followed by a one day, open-to-all mini-symposium on the new development of computational tools presented by the members of the CMC. If you are not already attending the CMC Workshop, please fill out this form.
View the schedule for the mini-symposium »
The schedule for the workshop is as follows:
Welcome and breakfast
8:30 AM to 10:30 AM
Introductory lecture by Emad Tajkhorshid from the University of Illinois at Urbana-Champaign.
Basic MD simulation methodology, force field, atomic systems, PBC, energy minimization and MD.
11:00 AM to 12:00 PM
Wonpil Im from Kansas University.
Basic membrane protein setup, CHARMM-GUI (see the slides from this powerpoint presentation for more information)
12:00 PM to 1:30 PM
1:30 PM to 5:00 PM
James Gumbart from Argonne National Lab & Benoit Roux from The
University of Chicago.
Practical session, VMD, NAMD, the CHARMM-GUI, simple applications, umbrella sampling, PMF computations.
- The CMC Workshop requires up-to-date hardware, operating systems, and software versions. Minimum requirements for laptops are provided in the following page. Configurations that provide less than the minimum requirements may function poorly, or not at all. Please visit the following page to ensure that you meet the hardware and software requirements »
- The following page describes how workshop participants should set up their laptops for participation in workshop hands-on tutorial sessions »
|CMC Membrane Protein Modeling Workshop
Tuesday, May 1st
Wednesday, May 2nd