Location: 513 Warren Weaver Hall
(Courant Institute of Mathematical Sciences, 251 Mercer St.)

Content: An introduction to molecular modeling and simulation,
with focus on biomolecules, including:

* Molecular Dynamics Simulations
theory and practice,

* Techniques for Conformational Sampling
Monte Carlo, global optimization, etc.,

* Molecular Graphics and Visualization
introduction to selected software packages,

* Selected Applications
protein dynamics and DNA supercoiling.

Prerequisites: Interest in the subject and some computing experience.

Textbook: "Molecular Dynamics Simulations; Elementary Methods", by J. M. Haile (John Wiley, NY, 1992), which will not be rigorously followed and various articles. Additional books, articles, and electonic sites of information will be recommended.

Format: Class lectures, with some invited speakers and computer labs.

Homework: Weekly reading and/or programming assignments (with choice given for the latter on the basis of student experience) and some group projects.

Grading: Based mostly on homework projects.

Instructor: Tamar Schlick,
Professor of Chemistry, Mathematics, and Computer Science

Check out the group web site on http://monod.biomath.nyu.edu/.

For further information, contact T. Schlick by email (preferred) at schlick@nyu.edu, phone (998-3116), or fax (995-4152).

If you are interested in the topic but are worried that you may not have the necessary background, please consult instructor!