This award partially supports the PI, the two Co-PIs, 12 invited speakers, and 14 postdocs, graduate students, or younger faculty in attending a workshop on macromolecular modeling at the Konrad Zuse Center on the Free University campus in Berlin. The conference will run from May 6-9, 1997.The workshop will bring together researchers from Europe, Israel, and the United States, and from the fields of chemistry, biology, biophysics, mathematics, and computer science. The themes of the workshop include advanced time stepping, quantum-classical molecular simulations, free-energy and ensemble calculations, structure determination, protein folding, and electrostatics. By emphasizing the participation of young scientists along with a select group of invited speakers, the workshop will provide a forum for presentation of the most recent discoveries, and lay the groundwork for future United States-Europe collaborative projects.
