INFO-B 572 Computational Chemistry and Molecular Modeling
3 credits
- Prerequisite(s): INFO I571
- Delivery: On-Campus
Description
Computer models of molecules and their behavior in gas and condensed phases; implicit and explicit solvation models; quantum and molecular mechanics; search strategies for conformational analysis; geometry optimization methods; information content from Monte Carlo and molecular dynamics simulations; QSAR; CoMFO; docking.
Policies and Procedures
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