Detailed Information
Cited 0 time in 
Cited 26 time in 
Cited 26 time in
Metadata Downloads
Configurational entropy of protein: A combined approach based on molecular simulation and integral-equation theory of liquids
- Authors
- Chong, Song-Ho; Ham, Sihyun
- Issue Date
- Mar-2011
- Publisher
- ELSEVIER
- Citation
- CHEMICAL PHYSICS LETTERS, v.504, no.4-6, pp 225 - 229
- Pages
- 5
- Journal Title
- CHEMICAL PHYSICS LETTERS
- Volume
- 504
- Number
- 4-6
- Start Page
- 225
- End Page
- 229
- ISSN
- 0009-2614
1873-4448
- Abstract
- We report the recent development of a theoretical method to calculate the protein configurational entropy in explicit solvent from statistical properties of the solvent-averaged protein potential energy surface. This method can be implemented by combining molecular simulation and integral-equation theory of liquids. Our method does not assume Gaussian distribution of protein configurations, and can be applied to unfolded or misfolded states of protein in which an average protein structure is not well defined. An illustrative application is made to misfolded state of 42-residue amyloid beta protein in water. (C) 2011 Elsevier B.V. All rights reserved.
- Files in This Item
- Go to Link
- Appears in
Collections - 이과대학 > 화학과 > 1. Journal Articles
Items in ScholarWorks are protected by copyright, with all rights reserved, unless otherwise indicated.