Calculation of Binding Free Energies of Inhibitors to Plasmepsin II
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Author / Producer
Date
2011-07
Publication Type
Journal Article
ETH Bibliography
yes
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Altmetric
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Rights / License
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Publication status
published
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Book title
Journal / series
Volume
32 (9)
Pages / Article No.
1801 - 1812
Publisher
Wiley
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Edition / version
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Software
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Date collected
Date created
Subject
molecular dynamics; thermodynamic integration; replica exchange; PM II; entropy
Organisational unit
03304 - Van Gunsteren, Wilfred F. (emeritus)
03344 - Diederich, François (emeritus)
Notes
Received 7 September 2010, Revised 16 December 2010, Accepted 5 January 2011.