WesMaps - Wesleyan University Catalog 2016-2017       Summer Session       Winter Session       Home       Archive       Search
Molecular Modeling

CHEM 596
Fall 2016
Section: 01  
Crosslisting: CHEM 396
Certificates: Molecular Biophysics

The theory behind molecular modeling techniques will be discussed, along with hands-on experience using HyperChem. Techniques such as energy minimization, Monte Carlo, molecular dynamics, Brownian dynamics, and quantum simulations will be discussed in detail. Relevant statistical mechanical concepts will be reviewed. Algorithms, implementations, limitations, and problems associated with existing modeling techniques will then be examined. Theory and implementation of selected free-energy simulation techniques will be discussed. Hands-on session using HyperChem on a 486-PC will involve direct application of techniques such as performing EM on a molecule of choice.
Credit: 1 Gen Ed Area Dept: NSM CHEM
Course Format: Lecture / DiscussionGrading Mode: Graded
Level: GRAD Prerequisites: None
Fulfills a Major Requirement for: (CHEM-MN)(CHEM-Track A)(CHEM-Track B)(CIS)(IDEA-MN)(INFO-MN)(MB&B)(MOBI-MN)
Past Enrollment Probability: Not Available

Last Updated on JUN-15-2024
Contact wesmaps@wesleyan.edu to submit comments or suggestions. Please include a url, course title, faculty name or other page reference in your email ? Wesleyan University, Middletown, Connecticut, 06459