Algorithmic Challenges in ComputationalMolecular Biophysics

Algorithmic Challenges in Computational Molecular Biophysics Tamar Schlick,∗ Robert D. Skeel,†,‡ Axel T. Brunger,§ Laxmikant V. Kalé,†,¶ John A. Board, Jr.,‖ Jan Hermans,∗∗ and Klaus Schulten†,†† ∗Department of Chemistry and Courant Institute of Mathematical Sciences, New York University and The Howard Hughes Medical Institute, 251 Mercer Street, New York, New York 10012; †Beckman Institute, University of Illinois at Urbana-Champaign, 405 North Mathews, Urbana, Illinois 61801-2987; §Department of Molecular Biophysics and Biochemistry, Yale University and The Howard Hughes Medical Institute, 266 Whitney Avenue, Bass Center, Room 434, New Haven, Connecticut 06520; ‖Department of Electrical and Computer Engineering, Duke University, School of Engineering, Durham, North Carolina 27708; and ∗∗Department of Biochemistry and Biophysics, University of North Carolina, Chapel Hill, North Carolina 27599-7260 E-mail: ∗[email protected], ‡[email protected], §[email protected], ¶[email protected], ‖[email protected], ∗∗[email protected], ††[email protected]