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

H. Ioannidis, A. Drakopoulos, C. Tzitzoglaki, N. Homeyer, F. Kolarov, P. Gkeka, K. Freudenberger, C. Liolios, G. Gauglitz, Z. Cournia, H. Gohlke, and A. Kolocouris. Journal of Chemical Information and Modeling, 56 (5): 862-876 (2016)

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Zoe Mathilda Akua Back University of Stuttgart

Other publications of authors with the same name

Inactive-to-Active Transition of Human Thymidine Kinase 1 Revealed by Molecular Dynamics Simulations.S. Makurat, Z. Cournia, and J. Rak. J. Chem. Inf. Model., 62 (1): 142-149 (2022)A molecular mechanics force field for biologically important sterols.Z. Cournia, J. Smith, and G. Ullmann. Journal of Computational Chemistry, 26 (13): 1383-1399 (2005)Membrane Partitioning of Anionic, Ligand-Coated Nanoparticles Is Accompanied by Ligand Snorkeling, Local Disordering, and Cholesterol Depletion.P. Gkeka, P. Angelikopoulos, L. Sarkisov, and Z. Cournia. PLoS Computational Biology, (2014)Investigating the Structure and Dynamics of the PIK3CA Wild-Type and H1047R Oncogenic Mutant.P. Gkeka, T. Evangelidis, M. Pavlaki, V. Lazani, S. Christoforidis, B. Agianian, and Z. Cournia. PLoS Computational Biology, (2014)AFMM: A molecular mechanics force field vibrational parametrization program.A. Vaiana, Z. Cournia, I. Costescu, and J. Smith. Comput. Phys. Commun., 167 (1): 34-42 (2005)Using physics-based pose predictions and free energy perturbation calculations to predict binding poses and relative binding affinities for FXR ligands in the D3R Grand Challenge 2.C. Athanasiou, S. Vasilakaki, D. Dellis, and Z. Cournia. Journal of Computer-Aided Molecular Design, 32 (1): 21-44 (2018)Enhancing the effectiveness of virtual screening by using the ChemBioServer: Application to the discovery of PI3Kα inhibitors.P. Gkeka, E. Athanasiadis, G. Spyrou, and Z. Cournia. BIBE, page 266-269. IEEE Computer Society, (2012)Alchemical Free Energy Calculations and Isothermal Titration Calorimetry Measurements of Aminoadamantanes Bound to the Closed State of Influenza A/M2TM.H. Ioannidis, A. Drakopoulos, C. Tzitzoglaki, N. Homeyer, F. Kolarov, P. Gkeka, K. Freudenberger, C. Liolios, G. Gauglitz, Z. Cournia and 2 other author(s). Journal of Chemical Information and Modeling, 56 (5): 862-876 (2016)ChemBioServer: a web-based pipeline for filtering, clustering and visualization of chemical compounds used in drug discovery.E. Athanasiadis, Z. Cournia, and G. Spyrou. Bioinformatics, 28 (22): 3002-3003 (2012)

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Disambiguation of "Cournia, Zoe"

Please choose a person to relate this publication to

Zoe Mathilda Akua Back University of Stuttgart

Other publications of authors with the same name

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PUMA

Disambiguation of "Cournia, Zoe"

copydeleteadd this publication to your clipboardcommunity posthistory of this postURLDOIBibTeXEndNoteAPAChicagoDIN 1505HarvardMSOffice XML Alchemical Free Energy Calculations and Isothermal Titration Calorimetry Measurements of Aminoadamantanes Bound to the Closed State of Influenza A/M2TM.

Please choose a person to relate this publication to

Zoe Mathilda Akua Back University of Stuttgart

Other publications of authors with the same name

Disambiguation