Computer Simulations of the Solvent Dependence of Apolar Association Strength:  Gibbs Free Energy Calculations on a Cyclophane−Pyrene Complex in Water and Chloroform von Mordasini Denti, Tiziana Z, van Gunsteren, Wilfred F, Diederich, François

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Calculations of Relative Hydration Free Energies:  A Comparative Study Using Thermodynamic Integration and an Extrapolation Method Based on a Single Reference State von Mordasini, Tiziana Z, McCammon, J. Andrew

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Molecular dynamics study of oxygenation reactions catalysed by the enzyme p-hydroxybenzoate hydroxylase von BILLETER, Salomon R, HANSER, Christof F. W, MORDASINI, Tiziana Z, SCHOLTEN, Mirjam, THIEL, Walter, VAN GUNSTEREN, Wilfred F

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Molecular structure of the fullerene C70 at 825°C von Mordasini, Tiziana Z., Hanser, Christof, Thiel, Walter

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Molecular structure of the fullerene C 70 at 825°C: : quantum-chemical molecular dynamics simulations von Mordasini, Tiziana Z., Hanser, Christof, Thiel, Walter

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Computational Chemistry Column: Combined Quantum Mechanical and Molecular Mechanical Approaches: Columns von Mordasini, Tiziana Z., Thiel, Walter

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Computational Chemistry Column: Combined Quantum Mechanical and Molecular Mechanical Approaches von Tiziana Z. Mordasini, Walter Thiel

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Computation of Gibbs Free Energies of Hydration for Simple Aromatic Molecules:  A Comparative Study Using Monte Carlo and Molecular Dynamics Computer Simulation Techniques von Mordasini Denti, Tiziana Z, Beutler, Thomas C, van Gunsteren, Wilfred F, Diederich, François

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