Methods for Path Optimization in Biomolecules
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Authors
McLeese, Shawn
Issue Date
2004
Type
Thesis
Language
en_US
Keywords
Alternative Title
Abstract
Path optimization can be a very important tool in many aspects. It can be used in
many different fields of study for many different types of path. In general, path
optimization involves improving a path according to a given optimization technique. By
varying the criteria for optimization, we can come up with several different improved
paths, and choose accordingly to produce the best possible path for the given situation.
This paper will cover several different optimization techniques that will produce different
paths, and using these we will discuss the best technique for our given situation. We will
also use these techniques to one of the fields of study to which path optimization can be
applied: biomolecular mechanics. The study of biomolecular mechanics is very
important in the field of drug development. By studying the mechanics of given drug
molecules, we can learn of properties that drug molecules possess, and this may help us
to discover possible molecules that could be used as therapeutic drugs. This paper will
study path optimization techniques on molecules, and the results of these techniques. We
will be able to see that the techniques discussed in this paper will result in paths that
agree with the optimized paths we would expect to see from these molecules. By using a
small, uncomplicated test molecule we will be able to lay the groundwork for these
minimization techniques to be used on larger, more complicated molecules. It is hoped
that by using these methods, we wi ll eventually be able to find biomechanical properties
of molecules, and by applying these methods to other possible pharmaceutical agents, we
will be able to find the likelihood that a molecule will react the way we hope it can.
Description
IV, 62 p.
Citation
Publisher
Kalamazoo College
License
U.S. copyright laws protect this material. Commercial use or distribution of this material is not permitted without prior written permission of the copyright holder.