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Force Field Effects on a β-Sheet Protein Domain Structure in Thermal Unfolding Simulations

✍ Scribed by Wang, Ting; Wade, Rebecca C.


Book ID
127013664
Publisher
American Chemical Society
Year
2005
Tongue
English
Weight
722 KB
Volume
2
Category
Article
ISSN
1549-9618

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## Abstract Computer simulation using molecular dynamics is increasingly used to simulate the folding equilibria of peptides and small proteins. Yet, the quality of the obtained results depends largely on the quality of the force field used. This comprises the solute as well as the solvent model an