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Conformational Sampling of Macrocyclic Drugs in Different Environments: Can We Find the Relevant Conformations?

Journal Article published 24 Sep 2018 in ACS Omega volume 3 issue 9 on pages 11742 to 11757

Research funded by Vetenskapsr├ądet (2016-03602, 2016-05160) | Janssen Pharmaceuticals

Authors: Vasanthanathan Poongavanam, Emma Danelius, Stefan Peintner, Lilian Alcaraz, Giulia Caron, Maxwell D. Cummings, Stanislaw Wlodek, Mate Erdelyi, Paul C. D. Hawkins, Giuseppe Ermondi, Jan Kihlberg