Computer-Chemie-Centrum (CCC)

Conformation and Dynamics of Human Urotensin II and Urotensin Related Peptide in Aqueous Solution (2017) Haensele E, Mele N, Miljak M, Read CM, Whitley DC, Banting L, Delepee C, et al. Journal article Accurate Intermolecular Potential for the C-60 Dimer: The Performance of Different Levels of Quantum Theory (2017) Sharapa D, Margraf JT, Heßelmann A, Clark T Journal article Redox behavior and biological properties of ferrocene bearing porphyrins (2017) Lippert R, Shubina T, Vojnovic S, Pavic A, Veselinovic J, Nikodinovic-Runic J, Stankovic N, Ivanovic-Burmazovic I Journal article, Original article Molecular Dynamics Simulation of Phosphonic Acid–Aluminum Oxide self-organization and their evolution into ordered monolayers (2017) Dietrich H, Schmaltz T, Halik M, Zahn D Journal article, Report Effect of Structure and Disorder on the Charge Transport in Defined Self-Assembled Monolayers of Organic Semiconductors (2017) Schmaltz T, Gothe B, Krause A, Leitherer S, Steinrück HG, Thoss M, Clark T, Halik M Journal article Synthesis, Structural Characterization, and Crystal Packing of the Elusive Pentachlorinated Azafullerene C59NCl5 (2017) Amsharov K, Holzwarth J, Roshchyna K, Sharapa D, Hampel F, Hirsch A Journal article, Original article Synchronized Offset Stacking: A Concept for Growing Large-Domain and Highly Crystalline 2D Covalent Organic Frameworks (2016) Auras F, Ascherl L, Haldmioun AH, Margraf J, Hanusch FC, Reuter S, Bessinger D, et al. Journal article Identification of Two Distinct Sites for Antagonist and Biased Agonist Binding to the Human Chemokine Receptor CXCR3 (2016) Milanos L, Saleh N, Kling R, Kaindl J, Tschammer N, Clark T Journal article Can Simulations and Modeling Decipher NMR Data for Conformational Equilibria? Arginine-Vasopressin (2016) Hänsele E, Saleh N, Read CM, Banting L, Whitley DC, Clark T Journal article A Three-Site Mechanism for Agonist/Antagonist Selective Binding to Vasopressin Receptors (2016) Saleh N, Saladino G, Gervasio FL, Haensele E, Banting L, Whitley DC, Santos JSDO, et al. Journal article