Workshop Details
Protein Electrostatics (Registration fee includes 1 lunch)
07/08/2013 - 07/12/2013
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.

Notes:

If you are interested in attending a meeting, but have not received an invitation, please contact the workshop organizer about availability before registering. Most TSRC meetings are very small, typically only about 25 people.

Supporting Files:

ScheduleFinal.doc
Meeting Venue:

Telluride Intermediate School
725 West Colorado Telluride CO 81435

Registered Meeting Participants:
Participant Organization Arrival Information Departure Information Interested in Sharing Transportation?
Alexov, Emil Clemson University 7/7
7/14
Anandakrishnan, Ramu Virginia Tech 7/7
7/12
Y
Baker, Nathan Pacific Northwest National Laboratory 7/7
7/11
Baptista, Antonio Instituto de Tecnologia Quimica e Biologica, UNL 7/6
7/13
Bardhan, Jaydeep Northeastern University 7/7
7/12
Y
Blachly, Patrick University of California, San Diego 7/7
7/12
Brooks , Charles University of Michigan 7/8
7/12
Damjanovic, Ana Johns Hopkins University 7/7
7/13
Enciso, Marta Freie Universitaet Berlin 7/8
7/13
Garcia-Moreno, Bertrand Johns Hopkins University 7/7
7/12
Groenhof, Gerrit University of Jyvaskyla 7/7
7/13
Y
Gunner, Marilyn CCNY 7/6
7/13
Y
Isom, Daniel University of North Carolina 7/8
7/12
Li, Lin Clemson University 7/7
7/13
McIntosh, Lawrence Univ. British Columbia 7/7
7/12
Y
Nielsen, Jens Erik Novozymes 7/7
7/14
Raleigh, Daniel Stony Brook University
Roitberg, Adrian University of Florida 7/7
7/12
Y
Shokhen, Michael Department of Chemistry, Bar Ilan University 7/6
7/13
Y
Webb, Lauren The University of Texas at Austin 6/24
7/13
Word, J. Michael OpenEye Scientific Software 7/7
7/12

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