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Chemistry: G25.2601
Biology: G23.2601
Mathematics: G63.2856.003
Computer Science: G22.3033.11
Sackler: G16.2607
Time: Thursdays, 12:45-2:45pm
Location: 1003 Main Building
Here are some references that the students might read in preparation:
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J. Lee, A. Liwo and H. A. Scheraga - Energy-based ab initio protein
folding by conformational space annealing and an off-lattice united-residue
force field: Application to the 10-55 fragment of staphylococcal protein A
and to apo calbindin D9K, Proc. Natl. Acad. Sci., USA, in press.
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J. Lee, H. A. Scheraga and S. Rackovsky - Conformational analysis of
the 20-residue membrane-bound portion of melittin by conformational space
annealing, Biopolymers, 46, 103-115 (1998).
- R. J. Wawak, J. Pillardy, A. Liwo, K.D. Gibson and H. A. Scheraga -
Diffusion equation and distance scaling methods of global optimization:
Applications to crystal structure prediction, J. Phys. Chem., 102,
2904-2918 (1998).
- A. Liwo, R. Kazmierkiewicz, C. Czaplewski, M. Groth, S. Oldziej, R. J.
Wawak, S. Rackovsky, M. R. Pincus, and H. A. Scheraga - United-residue
force field for off-lattice protein-structure simulations; III. Origin of
backbone hydrogen-bonding cooperativity in united-residue potentials, J.
Comput. Chem., 19, 259-276 (1998).
- J. Lee, H. A. Scheraga and S. Rackovsky - New optimization method for
conformational energy calculations on polypeptides: Conformational space
annealing, J. Comput. Chem., 18, 1222-1232 (1997).
For further information, contact T. Schlick by email (schlick@nyu.edu)
phone (998-3116) or fax (995-4152).
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