Alchemical Free Energy Calculations and Isothermal Titration Calorimetry Measurements of Aminoadamantanes Bound to the Closed State of Influenza A/M2TM

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Alchemical Free Energy Calculations and Isothermal Titration Calorimetry Measurements of Aminoadamantanes Bound to the Closed State of Influenza A/M2TM

Author: Ioannidis, Harris; Drakopoulos, Antonios; Tzitzoglaki, Christina; Homeyer, Nadine; Kolarov, Felix; Gkeka, Paraskevi; Freudenberger, Kathrin; Liolios, Christos; Gauglitz, Guenter; Cournia, Zoe; Gohlke, Holger; Kolocouris, Antonios
Tübinger Autor(en):
Kolarov, Felix
Freudenberger, Kathrin
Gauglitz, Günter
Published in: Journal of Chemical Information and Modeling (2016), Bd. 56, H. 5, S. 862-876
Verlagsangabe: Amer Chemical Soc
Language: English
Full text: http://dx.doi.org/10.1021/acs.jcim.6b00079
ISSN: 1549-960X
DDC Classifikation: 004 - Data processing and computer science
540 - Chemistry and allied sciences
Dokumentart: Article
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