TY - THES A1 - Scharkoi, O. T1 - Simulation von Opioiden unter Hinzunahme von Temperatur und pH-Wert Y1 - 2007 ER - TY - THES A1 - Scharkoi, O. T1 - Conformation Dynamics Design of Pain Relief Drugs Y1 - 2009 ER - TY - JOUR A1 - Scharkoi, O. A1 - Esslinger, Susanne A1 - Becker, Roland A1 - Weber, Marcus A1 - Nehls, Irene T1 - Phase I oxidation of alpha- and gamma-hexabromocyclododecane by cytochrome P450 enzymes: simulation of the stereoisomerism of hydroxylated metabolites JF - Organohalogen Compounds Y1 - 2011 VL - 73 SP - 730 EP - 733 ER - TY - JOUR A1 - Fackeldey, Konstantin A1 - Röblitz, Susanna A1 - Scharkoi, O. A1 - Weber, Marcus T1 - Soft Versus Hard Metastable Conformations in Molecular Simulations JF - Particle Methods II, Fundamentals and Applications, Barcelona, Spain 26-28 Oct. 2011, E. Onate and D.R.J. Owen (eds.) Y1 - 2011 SP - 899 EP - 909 ER -