Conformational studies of immunodominant myelin basic protein 1-11 analogues using NMR and molecular modeling. - Despina Laimou; Eliada Lazoura; Anastassios N. Troganis; Minos-Timotheos Matsoukas; Spyros N. Deraos; Maria Katsara; John Matsoukas; Vasso Apostolopoulos; Theodore V. Tselios (J. Comput. Aided Mol. Des., 2011)

Conformational analysis of the ΜΒΡ83-99 (Phe91) and ΜΒΡ83-99 (Tyr91) peptide analogues and study of their interactions with the HLA-DR2 and human TCR receptors by using Molecular Dynamics. - Constantinos Potamitis; Minos-Timotheos Matsoukas; Theodore V. Tselios; Thomas M. Mavromoustakos; Simona Golic Grdadolnik (J. Comput. Aided Mol. Des., 2011)

Conformational Analysis of Aliskiren, a Potent Renin Inhibitor, Using High-Resolution Nuclear Magnetic Resonance and Molecular Dynamics Simulations. - Minos-Timotheos Matsoukas; Panagiotis Zoumpoulakis; Theodore V. Tselios (J. Chem. Inf. Model., 2011)

Ligand Binding Determinants for Angiotensin II Type 1 Receptor from Computer Simulations. - Minos-Timotheos Matsoukas; Arnau Cordomí; Santiago Ríos; Leonardo Pardo; Theodore V. Tselios (J. Chem. Inf. Model., 2013)

Biologically relevant conformational features of linear and cyclic proteolipid protein (PLP) peptide analogues obtained by high-resolution nuclear magnetic resonance and molecular dynamics. - Golfo G. Kordopati; Haralambos Tzoupis; Anastassios N. Troganis; Gerasimos M. Tsivgoulis; Simona Golic Grdadolnik; Carmen Simal; Theodore V. Tselios (J. Comput. Aided Mol. Des., 2017)

Combined Computational and Structural Approach into Understanding the Role of Peptide Binding and Activation of Melanocortin Receptor 4. - Julian Zachmann; Eftichia Kritsi; Anthi Tapeinou; Panagiotis Zoumpoulakis; Theodore V. Tselios; Minos-Timotheos Matsoukas (J. Chem. Inf. Model., 2020)