Workshop Details
Protein Electrostatics
07/14/2008 - 07/18/2008
Meeting Description:

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.

Meeting Venue:

Telluride Intermediate School
725 West Colorado Telluride CO 81435

Registered Meeting Participants:
Participant Organization Arrival Information Departure Information Interested in Sharing Transportation?
Allen, Toby University of California, Davis 7/13
12:00 PM
7/18
12:00 PM
Baker, Nathan Washington University in St. Louis
Baptista, Antonio Instituto de Tecnologia Quimica e Biologica, Unive 7/12
9:00 PM
7/19
10:00 AM
Brooks, Charles University of Michigan 7/13
12:00 PM
7/18
12:00 PM
Brzezinski, Peter Stockholm University
Case, David The Scripps Research Institute 7/6
12:00 PM
7/18
12:00 PM
Cui, Qiang UW-Madison 7/13
12:00 PM
7/18
12:00 PM
Fenley, Marcia Florida State University 7/13
12:00 PM
7/19
12:00 PM
Garcia, Angel Rensselaer 7/13
12:00 PM
7/18
12:00 PM
Garcia-Moreno, Bertrand Johns Hopkins University 7/12
12:00 PM
7/18
12:00 PM
Gong, Haipeng University of Chicago 7/13
12:00 PM
7/18
12:00 PM
Y
Grosman, Claudio University of Illinois at Urbana-Champaign
Gunner, Marilyn CCNY 7/12
12:00 PM
7/19
12:00 PM
Y
Hall, Kathleen Washington UnivSchMed 7/13
6:00 PM
7/18
12:00 PM
Jensen, Jan University of Copenhagen 7/12
12:00 PM
7/19
12:00 PM
Y
Makhatadze, George Rensselaer Polytechnic Institute 7/13
12:00 PM
7/18
12:00 PM
Y
Nielsen, Jens University College Dublin 7/12
9:00 PM
7/18
12:00 PM
Pappu, Rohit Washington University in St. Louis
Parson, William University of Washington 8/13
8:00 PM
8/18
8:00 AM
Post, Carol Purdue University
Raleigh, Daniel State University of New York 7/13
5:00 PM
7/19
12:00 PM
Y
Roux, Benoit Univ of Chicago 7/14
5:00 PM
7/19
12:00 PM
Simonson, Thomas Ecole Polytechnique 7/13
6:00 PM
7/19
10:00 AM
Song, Yifan Physics Dept of CCNY 7/12
12:00 PM
7/19
12:00 PM
Y
Swanson, Jessica University of Utah
Tajkhorshid, Emad University of Illinois 7/14
2:00 PM
7/18
12:00 PM
Y
Tidor, Bruce MIT
Voth, Gregory A. University of Utah 7/13
12:00 PM
7/18
12:00 PM
Warshel, Arieh usc 7/13
12:00 PM
7/18
12:00 PM
White, Stephen Univ. of Calif. at Irvine 7/13
12:00 PM
7/18
12:00 PM

Telluride Science Research Center
Post Office Box 2429, Telluride CO 81435
Tel: + 970.708.4426
Email: info@telluridescience.org
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