Workshop Details
Water Structure, Dynamics and Thermodynamics in Biology (VIRTUAL WORKSHOP)
06/27/2021 - 07/01/2021
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.


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.

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.

With a workshop organizer's approval, students/post docs/lab members/retired senior scientists can register for $50 if they are not participating as a presenter. Please register at the normal rate and send an email to Sara Friedberg ( to let her know that you would like to participate at that rate. When you email her, please include the name of the workshop and the name of the workshop organizer who approved that participation rate. Thank you!

Meeting Venue:


Water Structure, Dynamics and Thermodynamics in Biology (VIRTUAL WORKSHOP) Registered Meeting Participants:
Participant Organization
Bagchi , Biman Indian Institute of Science, Bangalore, India
BAKSI, ATANU Indian Institute of Science, Bangalore, India
Bonn, Mischa Max Planck Institute for Polymer Research
Castro-Camus, Enrique Philipps-Universtiät Marburg
Dahal, Kenita Wichita State
Franck, John M. Syracuse University
Ge, Yunhui University of California, Irvine
Grubmueller, Helmut Max Planck Institute for biophysical Chemistry
Havenith, Martina Ruhr-University Bochum
Hemesath, Holly Arizona State University
Heyden, Matthias Arizona State University
Hoff, Wouter Oklahoma State University
Kurtzman, Tom Lehman College, CUNY
Laage, Damien Ecole Normale Superieure
Leitner, David University of Nevada, Reno
Maiti, Sthitadhi Arizona State University
Markelz, Andrea University at Buffalo, SUNY
Mitchell-Koch, Katie Wichita State University
Mobley, David L. University of California, Irvine
Mukherjee, Saumyak Indian Institute of Science
Nguyen, Vinh Virginia Tech
Petersen, Poul Ruhr-Universitat Bochum
Pezzotti, Simone Bochum Rhur University
Poudel, Humanath University of Nevada, Reno
Ramos, Sashary Ruhr University Bochum
Reid, Korey M. University of Nevada Reno
Remsing, Rick Rutgers University
van Dam, Eliane Ruhr-University Bochum
Xie, Aihua Oklahoma State University

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