Free energy calculations offer insights into the influence of receptor flexibility on ligand–receptor binding affinities

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Author
Dolenc, Jozicacc
Riniker, Sereina
Gaspari, Roberto
Daura, Xavier
van Gunsteren, Wilfred F.
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Date
2011-08
Type
    Journal Article
Rights / license
In Copyright - Non-Commercial Use Permitted
Permanent link
https://doi.org/10.3929/ethz-b-000161150
Publication status
published
External links
Journal / series
Journal of Computer-Aided Molecular Design
Volume
25(8)
Pages / Article No.
709 - 716
Publisher
Springer
Subject
α-Cyclodextrin; Conformational flexibility; Drug design; DNA–ligand binding; Molecular dynamics
Organisational unit
09458 - Riniker, Sereina Z. / Riniker, Sereina Z.  
03304 - Van Gunsteren, Wilfred F. (emeritus)  
Notes
Received 22 March 2011, Accepted 20 June 2011, Published online 7 July 2011. It was possible to publish this article open access thanks to a Swiss National Licence with the publisher
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Citations
Cited 9 times in Web of Science
ETH Bibliography
yes
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