Free energy calculations offer insights into the influence of receptor flexibility on ligand–receptor binding affinities
- Journal Article
Rights / licenseIn Copyright - Non-Commercial Use Permitted
Journal / seriesJournal of Computer-Aided Molecular Design
Pages / Article No.
Subjectα-Cyclodextrin; Conformational flexibility; Drug design; DNA–ligand binding; Molecular dynamics
Organisational unit09458 - Riniker, Sereina Z. / Riniker, Sereina Z.
03304 - Van Gunsteren, Wilfred F. (emeritus)
NotesReceived 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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