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Selected Publication:

Oostenbrink, C; van Gunsteren, WF.
(2004): Free energies of binding of polychlorinated biphenyls to the estrogen receptor from a single simulation.
Proteins. 2004; 54(2):237-246 FullText FullText_BOKU

Authors BOKU Wien:: Oostenbrink Chris
Find related publications in this database (using NML MeSH Indexing): Carbon - metabolism; Computer Simulation -; Ligands -; Models, Molecular -; Polychlorinated Biphenyls - chemistry; Protein Binding -; Protein Conformation -; Receptors, Estrogen - chemistry; Thermodynamics -
Find related publications in this database (Keywords): molecular dynamics simulation; single-step perturbation; soft-core interaction; binding modes