Workshop Details
Water Structure, Dynamics and Thermodynamics in Biology
06/16/2019 - 06/20/2019
Meeting Description:

BRIEF: This meeting will focus on the role of water in the stability, dynamics and function of biomolecules, rooted in a molecular, microscopic and mechanistic perspective. While the importance of water as a solvent for biomolecular processes has been realized for decades, new experimental and theoretical developments provide revealing, quantitative insights into coupled solute-solvent dynamics and water-mediated interactions on the molecular scale, which go beyond hydrophobic effects. In fact, the very idea of what site or surface displays hydrophobicity is found to be highly context dependent, and requires foundational study, both theoretical and experimental. A diverse group of researchers consisting of experimentalists and theoreticians from around the globe will assemble, whose work has transformed our understanding of water in biomolecular systems as a solvent and structural component of biomolecules and biomolecular complexes. The common goal of this TSRC workshop will be to find convergence in our understanding of this highly exciting topic of biological hydration that, traditionally, has been rife with controversy and disagreements. Our means to find common understanding will be through sharing data and simulation methods, and the comparison of different theoretical, and experimental, approaches on common systems and questions.

WHY NOW: Recent developments that may be game changers for the field include the quantitative description of solvation contributions to the free energy surface on which biomolecular processes take place, including molecular recognition, conformational transitions of proteins, and enzymatically catalyzed reactions. Advances in this area are simultaneously driven by novel computational tools that extract information from simulations, in parallel to cutting-edge experimental tools that interrogate properties of water buried within biomolecules or at biomolecular interfaces and solvent-exposed surfaces. Examples are spatial decompositions of solvation free energy contributions in computer simulations and continuum theories, nuclear magnetic relaxation and Overhauser dynamic nuclear polarization spectroscopy experiments, which are sensitive to the dynamics of water molecules in the vicinity of local probes, linear and non-linear absorption and scattering spectroscopies which report on water hydrogen bond networks, and transient absorption that allows for kinetic insights. These emerging new tools improve our understanding of biomolecular folding/unfolding equilibria and driving forces for complex formation, which in turn will improve our ability to design complex molecular systems with desired functionality in aqueous solution.


Participants should be aware that this workshop runs Sunday through Thursday. Discounted lodging rates end after Wednesday night. If your flight is on Friday out of Montrose, we recommend having dinner in Telluride on Thursday 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.

Meeting Venue:

Telluride Intermediate School
725 West Colorado Ave Telluride, CO 81435

Water Structure, Dynamics and Thermodynamics in Biology Registered Meeting Participants:
Participant Organization
Cembran, Alessandro University of Minnesota Duluth
Cheng, Sara Yuengee University of California Berkeley
Duboue-Dijon, Elise CNRS
Franck, John Syracuse University
Han, Songi UC Santa Barbara
Heyden, Matthias Arizona State University
Kast, Stefan M. TU Dortmund
Kubarych, Kevin University of Michigan
Matyushov, Dmitry Arizona State University
McCullagh, Martin Colorado State University
Mukherjee, Arnab Indian Institute of Science Education and Research Pune
Nguyen, Vinh Virginia Tech
Patel, Amish University of Pennsylvania
Petersen, Poul Ruhr-Universitat Bochum
Pines, Ehud ben gurion university of the negev
Rossky, Peter Rice University
Smith, Jeremy University of Tennessee/Oak Ridge National La
Willard, Adam MIT

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