The group has published since 2003 more than 30 articles in the field of biomolecular simulations, peptide chemistry, protein expression, as well as NMR conformational analysis of a variety of biomolecules and biomolecular complexes.
Selected recent publications are listed below, while full record of publications in peer-reviewed scientific journals along with publications in Books or Conference Proceeding and deposited data are provided through the next pages.

Selected publications

Chasapis CT, Argyriou AI, Corringer PJ, Bentrop D, Spyroulias GA. Unravelling the Conformational Plasticity of the Extracellular Domain of a Prokaryotic nAChR Homologue in Solution by NMR. Biochemistry 50, 9681-9683 (2011)

N. Dimitropoulos, A. Papakyriakou, G.A. Dalkas, C.T. Chasapis, K. Poulas, G.A. Spyroulias. A computational investigation on the role of glycosylation in the binding of alpha1 nicotinic acetylcholine receptor with two alpha-neurotoxins. Proteins: Structure, Function, Bioinformatics 79, 142-152 (2011)

Dalkas GA, Chasapis CT, Gkazonis PV, Bentrop D, Spyroulias GA. Conformational dynamics of the anthrax lethal factor catalytic center.
Biochemistry 49, 10767-10769 (2010)

G.A. Dalkas, A. Papakyriakou , A. Vlamis-Gardikas , G.A. Spyroulias.  Insights into the anthrax lethal factor-substrate interaction and selectivity using docking and molecular dynamics simulations.
Protein Science 18, 1774-85, (2009).

N.G. Kandias, C.T. Chasapis, V. Episkopou, D. Bentrop, G.A. Spyroulias. High yield expression, and NMR characterization  of Arkadia E3 Ubiquitin Ligase RING-H2 finger domain.
BBRC 378, 498-502, (2009).

L.A. Abriata, L. Banci, I. Bertini, S. Ciofi-Baffoni, P. Gkazonis, G.A. Spyroulias, A.J. Vila, S. Wang. Mechanism of metal delivery to the CuA center interminal oxidases from bacteria: a redox menage-a-trois.
Nature Chemical Biology 4, 599-601, (2008).

M.A. Fousteris, A. Papakyriakou, A. Koutsourea, M. Manioudaki, E. Lampropoulou, E. Papadimitriou, G.A. Spyroulias, S.S. Nikolaropoulos. Pyrrolo[2,3-a]carbazoles as potential CDK1 inhibitors. Synthesis, preliminary biological evaluation and binding mode through docking simulations.
Journal of Medicinal Chemistry 51, 1048-1052 (2008).

Z. Spyranti, G.A. Dalkas, G.A. Spyroulias, E.D. Matzourani, T. Mavromoustakos, I Friligou, T. Tselios, J. Matsoukas. Bioactive Conformations of Cyclic Myelin Basic Protein (MBP) Peptide Analogues: Exploring the Structural Requirements for Experimental Autoimmune Encephalomyelitis (EAE) Reversal.
Journal of Medicinal Chemistry 50, 6039-6047 (2007).

A. Papakyriakou, G.A. Spyroulias, E. Sturrock, E. Manessi-Zoupa, P. Cordopatis. Simulated Interactions between Angiotensin-Converting Enzyme and Substrate Gonadotropin-Releasing Hormone: Novel Insights into Domain-Selectivity.
Biochemistry 46, 8753-8765, (2007).

L. Banci, I. Bertini, S. Ciofi-Baffoni, N.G. Kandias, G.A. Spyroulias, N.J. Robinson, M. Vanarotti, X.-C. Su. The delivery of copper for thylakoid import observed by NMR.
Proc. Natl Acad Sci. USA 103, 8320-8325, (2006).