Biophysical Society Thematic Meeting | Hamburg 2022

Biophysics at the Dawn of Exascale Computers

Daily Schedule

Biophysics at the Dawn of Exascale Computers Hamburg, Germany May 16 – 20, 2022

All sessions will be held at Center for Free-Electron Laser Science (CFEL), Building 99 in Seminar Rooms I, II, III unless otherwise noted. PROGRAM Monday, May 16, 2022 15:00 – 18:30 Registration/Information Foyer 18:30 –19:30 Welcome Reception Foyer

Tuesday, May 17, 2022 08:30 – 18:30

Registration/Information

Foyer

09:00 – 09:05

Abhishek Singharoy, Arizona State University, USA Welcome & Opening Remarks

Session I

Protein Folding and Assembly I (From Sequence to Structure) Gregory A. Voth , University of Chicago, USA, Chair

09:05 – 09:15

09:15 – 09:45

Chaok Seok, Seoul National University, South Korea Searching Chemical Space and Protein Space in the Era of Accurate Protein Structure Prediction Henry Chapman, DESY, Germany Serial Diffractive Imaging and Crystallography with Intense X-ray Sources Eliane Briand, MPI for Biophysical Chemistry, Germany* Constant PH Molecular Dynamics in Gromacs Using Lambda Dynamics and the Fast Multipole Method

09:45 – 10:15

10:15 – 10:30

Coffee Break

10:30 – 11:00

Foyer

Session II

Dissection of Allosteric Pathways I (Thermodynamics of Allostery)

11:00 – 11:15

Alberto Perez, University of Florida, USA, Chair

Abbas Ourmazd , University of Wisconsin-Milwaukee, USA What Can We Learn from Machine Learning?

11:15 – 11:45

11:45 – 12:15

Ivet Bahar, University of Pittsburgh, USA Using Network Models for Exploring Biomolecular Function at Multiple Scales from Proteins to Chromosomes Karen Palacio-Rodriguez, Sorbonne Université IMPMC, France* Development of Predictive Approaches for Biomolecular Association Kinetics

12:15 – 12:30

Lunch

12:30 – 13:30

Foyer

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