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Pioneering chemical biology & medicinal chemistry through Open Access research...

Strathprints makes available scholarly Open Access content by researchers in the Department of Pure & Applied Chemistry, based within the Faculty of Science.

Research here spans a wide range of topics from analytical chemistry to materials science, and from biological chemistry to theoretical chemistry. The specific work in chemical biology and medicinal chemistry, as an example, encompasses pioneering techniques in synthesis, bioinformatics, nucleic acid chemistry, amino acid chemistry, heterocyclic chemistry, biophysical chemistry and NMR spectroscopy.

Explore the Open Access research of the Department of Pure & Applied Chemistry. Or explore all of Strathclyde's Open Access research...

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Number of items: 18.

Article

Jorge, Miguel and Bock, Henry (2018) Engineering self-assembly. Molecular Simulation, 44 (6). pp. 433-434. ISSN 0892-7022

Jorge, Miguel and Milne, Andrew W. and Sobek, Olivia N. and Centi, Alessia and Pérez-Sánchez, Germán and Gomes, José R. B. (2018) Modelling the self-assembly of silica-based mesoporous materials. Molecular Simulation, 44 (6). pp. 435-452. ISSN 0892-7022

Agius Anastasi, Anthea and Ritos, Konstantinos and Cassar, Glenn and Borg, Matthew K. (2016) Mechanical properties of pristine and nanoporous graphene. Molecular Simulation. pp. 1-10. ISSN 0892-7022

Cardona, Javier and Fartaria, Rui and Sweatman, Martin B. and Lue, Leo (2016) Molecular dynamics simulations for the prediction of the dielectric spectra of alcohols, glycols, and monoethanolamine. Molecular Simulation, 42 (5). pp. 370-390. ISSN 0892-7022

Fischer, Michael and Gomes, Jose R. B. and Jorge, Miguel (2014) Computational approaches to study adsorption in MOFs with unsaturated metal sites. Molecular Simulation, 40 (7-9). pp. 537-556. ISSN 0892-7022

Nicholls, William and Borg, Matthew Karl and Lockerby, Duncan A. and Reese, Jason (2012) Water transport through carbon nanotubes with defects. Molecular Simulation, 38 (10). pp. 781-785. ISSN 0892-7022

Atamas, Alexander and Koudriachova, Marina V. and de Leeuw, Simon W. and Sweatman, Martin B. (2011) Monte Carlo calculations of the free energy of ice-like structures using the self-referential method. Molecular Simulation, 37 (4). pp. 284-292. ISSN 0892-7022

Borg, Matthew Karl and Macpherson, Graham and Reese, Jason (2010) Controllers for imposing continuum-to-molecular boundary conditions in arbitrary fluid flow geometries. Molecular Simulation, 36 (10). pp. 745-757. ISSN 0892-7022

Mulheran, P.A. and Kubiak, K. (2009) Protein adsorption mechanisms on solid surfaces: lysozyme-on-mica. Molecular Simulation, 35 (7). pp. 561-566. ISSN 0892-7022

Mulheran, P.A. and Browne, C.S. and Moghaddam, Y. (2009) Adatoms and interstitials in the rutile TiO2 (110) surface: structure and dynamics. Molecular Simulation, 35 (7). pp. 532-537.

Sweatman, M.B. (2009) New techniques for simulating crystals. Molecular Simulation, 35 (10-11). pp. 897-909.

Macpherson, Graham B. and Reese, Jason M. (2008) Molecular dynamics in arbitrary geometries : parallel evaluation of pair forces. Molecular Simulation, 34 (1). pp. 97-115. ISSN 0892-7022

Macpherson, G.B. and Borg, M.K. and Reese, J.M. (2007) Generation of initial molecular dynamics configurations in arbitrary geometries and in parallel. Molecular Simulation, 33 (15). pp. 1199-1212. ISSN 0892-7022

Sweatman, M.B. and Quirke, N. and Zhu, W. and Kapteijn, R. (2006) Analysis of gas adsorption in Kureha active carbon based on the slit-pore model and Monte-Carlo simulations. Molecular Simulation, 32 (7). pp. 513-522.

Sweatman, M.B. and Quirke, N. (2005) Modelling gas mixture adsorption in active carbons. Molecular Simulation, 31 (9). pp. 667-681.

Striolo, Alberto and Colina, Coray M. and Gubbins, Keith E. and Elvassore, Nicola and Lue, L. (2004) The depletion attraction between pairs of colloid particles in polymer solution. Molecular Simulation, 30 (7). pp. 437-449. ISSN 0892-7022

Sweatman, M.B. and Quirke, N. (2004) Simulating fluid-solid equilibrium with the Gibbs ensemble. Molecular Simulation, 30 (1). pp. 23-28.

Sweatman, M.B. and Quirke, N. (2001) Modelling gas adsorption in slit-pores using Monte Carlo simulation. Molecular Simulation, 27 (5-6). pp. 295-321. ISSN 0892-7022

This list was generated on Sat Sep 26 04:04:28 2020 BST.