Molecular Modeling of Proteins
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| Audience/Grade: | College Freshman-Continuing Education |
| Discipline(s): |
Bioengineering and Biomedical Engineering Chemical, Biochemical, Biomolecular Engineering Chemistry Life Sciences Materials Engineering |
| Special Topic(s): | |
| Learning Resource Type: |
Teaching - Case Study |
| Author(s): |
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| Publisher(s): |
Arnold Neumaier |
| Description: | This web-based software teaches the user concepts about molecular modeling of proteins. The protein-folding problem entails the mathematical prediction of (tertiary, 3-dimensional) protein structure given the (primary, linear) structure defined by the sequence of amino acids of the protein. It is one of the most challenging problems in current biochemistry, and is a very rich source of interesting problems in mathematical modeling and numerical analysis, requiring an interplay of techniques in eigenvalue calculations, stiff differential equations, stochastic differential equations, local and global optimization, nonlinear least squares, multidimensional approximation of functions, design of experiment, and statistical classification of data. Even topological concepts like the Morse index and invariants in knot theory (Jones polynomials) have been discussed in this context. An extensive recent report from the U.S. National Research Council on the mathematical challenges from theoretical and computational chemistry shows the protein-folding problem embedded into a large variety of other mathematical challenges in chemistry. This software was originally cataloged at http://www.my-edu2.com/eduframe.htm. |
| Rating: | No Rating |
| Related Resources | |
| Usage Tip | |
| Difficulty: |
Difficult |
| Interactivity Level: |
Medium |
| Version Info | |
| Publication Date: | January 1998 |
| Platform/Format: |
WWW |
| Cost: |
Free |
| Download URL: | http://solon.cma.univie.ac.at/protein.html |
| Metadata: |
IEEE LOM Record |
| Collection: |
NEEDS
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