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| [27] | Allostery in membrane proteins (Zoe Cournia, AlexiosChatzigoulas), In Current Opinion in Structural Biology, volume 62, 2020. |
| [26] | Unravelling the effect of the E545K mutation on PI3Kα kinase (Ioannis Galdadas, Francesco Luigi Gervasio and Zoe Cournia), In Chemical Science, volume , 2020. |
| [25] | The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations (Andrea Rizzi, Travis Jensen, David R. Slochower, Matteo Aldeghi, Vytautas Gapsys, Dimitris Ntekoumes, Stefano Bosisio, Michail Papadourakis, Niel M. Henriksen, Bert L. de Groot, Zoe Cournia, Alex Dickson, Julien Michel, Michael K. Gilson, Michael R. Shirts, David L. Mobley, John D. Chodera), In Journal of Computer-Aided Molecular Design, volume , 2020. |
| [24] | ChemBioServer 2.0: an advanced web server for filtering, clustering and networking of chemical compoundsfacilitating both drug discovery and repurposing (Evangelos Karatzas, Juan Eiros Zamora, Emmanouil Athanasiadis, Dimitris Dellis, Zoe Cournia, George M. Spyrou), In Bioinformatics, volume , 2020. |
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| [22] | Chimera States With 2D Deterministic and Random Fractal Connectivity (George Argyropoulos, Astero Provata), In Front. Appl. Math. Stat., volume 5, 2019. |
| [21] | Biodegradation of Cellulose in Laboratory-Scale Bioreactors: Experimental and Numerical Studies (Mistriotis, Antonis, Papardaki, Nikoleta-Georgia and Provata, Astero), In Journal of Polymers and the Environment, 2019. |
| [20] | Shear Rheology of Unentangled and Marginally Entangled Ring Polymer Melts from Large-Scale Nonequilibrium Molecular Dynamics Simulations (Tsamopoulos, Alexandros J., Katsarou, Anna F., Tsalikis, Dimitrios G. and Mavrantzas, Vlasis G.), In Polymers, volume 11, 2019. |
| [19] | Structural characterization and molecular dynamics simulations of the caprine and bovine solute carrier family 11 A1 (SLC11A1) (Triantaphyllopoulos, Kostas A.and Baltoumas, Fotis A. and Hamodrakas, Stavros J.), In Journal of Computer-Aided Molecular Design, volume 33, 2019. |
| [18] | The gram-negative outer membrane modeler: Automated building of lipopolysaccharide-rich bacterial outer membranes in four force fields (Baltoumas, Fotis A., Hamodrakas, Stavros J. and Iconomidou, Vassiliki A.), In Journal of Computational Chemistry, volume 40, 2019. |
| [17] | Delving into the amyloidogenic core of human leukocyte chemotactic factor 2 (Paraskevi L. Tsiolaki, Georgia I. Nasi, Fotis A. Baltoumas, Shannon Fishman, Ho-Chou Tu and Vassiliki A. Iconomidou), In Journal of Structural Biology, 2019. |
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| [5] | Fractal and multifractal analysis of PET/CT images of metastatic melanoma before and after treatment with ipilimumab (Breki, Christina-Marina and Dimitrakopoulou-Strauss, Antonia and Hassel, Jessica and Theoharis, Theoharis and Sachpekidis, Christos and Pan, Leyun and Provata, Astero), In EJNMMI Research, volume 6, 2016. |
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| [2] | Molecular dynamics simulations and structure-based network analysis reveal structural and functional aspects of G-protein coupled receptor dimer interactions (Baltoumas, Fotis A. and Theodoropoulou, Margarita C. and Hamodrakas, Stavros J.), In Journal of Computer-Aided Molecular Design, volume 30, 2016. |
| [1] | A $\beta$-solenoid model of the Pmel17 repeat domain: insights to the formation of functional amyloid fibrils (Louros, Nikolaos N. and Baltoumas, Fotis A. and Hamodrakas, Stavros J. and Iconomidou, Vassiliki A.), In Journal of Computer-Aided Molecular Design, volume 30, 2016. |
