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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

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