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Scientific Papers

Title Author Published Journal
The influence of pellet shape, size and distribution on capsule filling ..... Monte Carlo technique Prof. Ray Rowe 26/08/05 International Journal of Pharmaceutics, 300, 32-37 (2005)
Optimisation of the predictive ability of artificial neural network (ANN) models Prof. Ray Rowe 01/07/05 European Journal of Pharmaceutical Sciences, 25, 395-405 (2005)
Robust and accurate method for free-energy calculation of charged molecular systems Prof. Jamshed Anwar 08/06/05 Journal of Chemical Physics, 122 (2005)
Comparison of static and fluctuating charge models for force-field methods applied to organic crysta Dr Frank Leusen 01/05/05 Crystal Growth & Design, 5(3), 925-933 (2005)
The GAMESS-UK electronic structure package: algorithms, developments and applications. Dr John Kendrick 01/03/05 Molecular Physics, 103(6-8), 719-747 (2005)
A combined finite-discrete element method for simulating pharmaceutical powder tableting Prof. Ray Rowe 21/02/05 International Journal for Numerical Methods in Engineering, 62(7), 853-869 (2005)
An approach to developing a forcefield for molecular simulation Prof. Jamshed Anwar 05/06/04 J. Amer. Chem. Soc., 126(1), 396-405 (2004)
Cheminformatics and molecular modeling Dr Frank Leusen 07/01/04 Cheminformatics developments (Ed: Jan H. Noordik). IOS Press, Amsterdam, the Netherlands, pp. 175 - 202 (2004).
A study of different approaches to the electrostatic interaction ... organic crystals Dr Frank Leusen 01/11/03 Physical Chemistry Chemical Physics, 5(21), 4923-4931
Molecular dynamics simulations of granual compaction Prof. Jamshed Anwar 09/09/03 Chemistry of Materials, 15(8), 3417-3430

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