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Simulation Studies of Peptide Aggreg...
~
McGovern, Michael.
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Simulation Studies of Peptide Aggregation.
Record Type:
Electronic resources : Monograph/item
Title/Author:
Simulation Studies of Peptide Aggregation./
Author:
McGovern, Michael.
Published:
Ann Arbor : ProQuest Dissertations & Theses, : 2014,
Description:
80 p.
Notes:
Source: Dissertation Abstracts International, Volume: 76-11(E), Section: B.
Contained By:
Dissertation Abstracts International76-11B(E).
Subject:
Chemical engineering. -
Online resource:
http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=3707870
ISBN:
9781321827279
Simulation Studies of Peptide Aggregation.
McGovern, Michael.
Simulation Studies of Peptide Aggregation.
- Ann Arbor : ProQuest Dissertations & Theses, 2014 - 80 p.
Source: Dissertation Abstracts International, Volume: 76-11(E), Section: B.
Thesis (Ph.D.)--The University of Wisconsin - Madison, 2014.
An improved free energy calculation method for molecular simulations is presented which allows for accurate calculation of free energy as a function of multiple variables simultaneously without the systematic boundary errors that have plagued similar methods in the past. Molecular simulations are applied to study the aggregation behavior of beta-peptides, a class of synthetic protein-like molecules in order to learn about how molecular level properties lead to large scale self-assembly properties. Finally, simulations are used to examine the structure of human islet amyloid polypeptide, a peptide hormone whose aggregation is associated with diabetes, in a variety of experimental conditions in order to learn about how the solvent environment effects aggregation.
ISBN: 9781321827279Subjects--Topical Terms:
560457
Chemical engineering.
Simulation Studies of Peptide Aggregation.
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An improved free energy calculation method for molecular simulations is presented which allows for accurate calculation of free energy as a function of multiple variables simultaneously without the systematic boundary errors that have plagued similar methods in the past. Molecular simulations are applied to study the aggregation behavior of beta-peptides, a class of synthetic protein-like molecules in order to learn about how molecular level properties lead to large scale self-assembly properties. Finally, simulations are used to examine the structure of human islet amyloid polypeptide, a peptide hormone whose aggregation is associated with diabetes, in a variety of experimental conditions in order to learn about how the solvent environment effects aggregation.
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http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=3707870
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