The Fenna-Matthews-Olson Trimer
This “hands on” workshop on computational physics, which has Consortium Members Klaus Schulten and Emad Tajkhorshid as co-hosts, will explore physical models and computational approaches used for the simulation of biological systems and the investigation of their function at an atomic level. The course will be based on case studies including the properties of membranes and membrane proteins, mechanisms of molecular motors, trafficking in the living cell through water and ion channels, and signaling pathways. Relevant physical concepts, mathematical techniques, and computational methods will be introduced, including force fields and algorithms used in molecular modeling, molecular dynamics simulations on parallel computers and steered molecular dynamics simulations.
The workshop forms part of the NIH-sponsored Workshops on Theoretical and Computational Biophysics and will take place on February 11 – 15, 2012. It is designed for students and researchers in computational and/or biophysical fields who seek to extend their research skills to include computational and theoretical expertise, as well as other researchers interested in theoretical and computational biophysics. Theory sessions in the morning will be followed by hands-on computer labs in the afternoon in which students will be able to set up and run simulations. Enrollment limited to 20 participants.
Klaus Schulten and Emad Tajkhorshid are members of the Computational Modeling core. Tajkhorshid also collaborates in the Structural Dynamics of ABC Transporter and Conformational Dynamics in the CLC Channel/Transporter Family projects.