Binding of novel fullerene inhibitors to HIV-1 protease: insight through molecular dynamics and molecular mechanics Poisson-Boltzmann surface area calculations. - Haralambos Tzoupis; Georgios Leonis; Serdar Durdagi; Varnavas D. Mouchlis; Thomas M. Mavromoustakos; Manthos G. Papadopoulos (J. Comput. Aided Mol. Des., 2011)

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)