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Comparison of enveloping distribution sampling and thermodynamic integration to calculate binding free energies of phenylethanolamine N-methyltransferase inhibitors

scientific article published in July 2011

Author/s

author: Sereina Riniker, Niels Hansen, Alan Mark, Pramod C. Nair, Wilfred F van Gunsteren

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Work details

Publication date
July 1, 2011
- -
Language
English

Copyright status