Electrostatic forces govern many key biochemical processes, including all of energy transduction (e.g. catalysis, proton transport, electron transfer, ion homeostasis, etc). Despite 30 years of focused efforts to elucidate the structural basis of electrostatic effects in proteins, this remains a very challenging problem. It has become increasingly clear that polarization, structural relaxation, charge fluctuations, dielectric breakdown, water penetration, and coupling between ionizable sites, all contribute to the stabilization of charge inside proteins. A true multi-scale approach that considers processes ranging from quantum mechanical effects to conformational fluctuations in biological time scales will be needed to make progress in this field. Many novel computational methods have been developed recently that can improve our ability to treat electrostatic effects. However, each of these approaches considers a limited range of factors. Furthermore, developments have been hampered by the lack of experimental data that can provide clear benchmarks for validating the different approaches. The purpose of this workshop will be to bring together experimentalists, theorists and simulators with shared interests in electrostatic effects in water-soluble and membrane proteins. One aim of this workshop will be to identify the critical areas where experiments are needed to obtain physical insight to guide improvements to computational models and data to benchmark these models. Another aim will be to compare and contrast the strengths and weaknesses of different simulation frameworks used to calculate equilibrium constants for ion binding, pKa values, redox Ems, and the effects of pH and salt on conformational transitions. The ultimate goal is to lower the barriers for collaboration amongst and between theory, computation, and experiment.
IMPORTANT: Participants should note that the workshop runs Tuesday through Saturday. Because of the approaching 4th of July holiday week, discounted lodging rates are not available on Saturday night. If your flight is on Sunday out of Montrose, we recommend having dinner in Telluride on Saturday night and taking Telluride Express to Montrose after dinner. TSRC scientists are eligible for the corporate rate ($119 + tax) at the Hampton Inn (970-547-4120) next to the airport.
We wish to ensure an intimate workshop setting, with no more than 20 to 25 participants. If you are interested in attending, but have not received an invitation, please contact the workshop organizer before registering. If you have registered for a meeting you were not invited to, you may be subject to a $100 fee.
TSRC is about expanding the frontiers of science, exploring new ideas, and building collaborations. The workshop schedule will allow for substantial unstructured time for participants to talk and think. All participants are expected to stay for the entire duration of the workshop. Scientists are encouraged to consider bringing family or friends. Telluride offers a number of options for children's camps (including Telluride Academy, Aha School for the Arts, and Pinhead Institute). There is more information on childcare, camps, and family activities on TSRC's website. Feel free to contact TSRC's staff to help with any planning and/or coordinating care.
Telluride Intermediate School
725 W Colorado Ave, Telluride CO 81435
|Alexov, Emil||Clemson University|
|Bondar, Ana Nicoleta||Freie UniversitÃ¤t Berlin|
|Brooks, Bernard||National Heart, Lung, and Blood Institute|
|Chodera, John||Memorial Sloan Kettering Cancer Center|
|Cui, Qiang||Boston University|
|Gan, Zecheng||university of michigan, ann arbor|
|Garcia-Moreno, Bertrand||Johns Hopkins University|
|Gunner, Marilyn||City College of New York|
|Hervø-Hansen, Stefan||Lund University|
|Lund, Mikael||Lund university|
|Machuqueiro, Miguel||Faculdade de CiÃªncias, Universidade de Lisboa|
|Mobley, David L.||University of California, Irvine|
|Wang, Jimin||Yale University|
|White, Katharine||University of Notre Dame|