Free energy calculations offer insights into the influence of receptor flexibility on ligand–receptor binding affinities
Permanent link
https://doi.org/10.3929/ethz-b-000161150Publication status
publishedExternal links
Journal / series
Journal of Computer-Aided Molecular DesignVolume
Pages / Article No.
Publisher
SpringerSubject
α-Cyclodextrin; Conformational flexibility; Drug design; DNA–ligand binding; Molecular dynamicsOrganisational 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 publisherMore
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