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Open Access research that pioneers intelligent infrastructure

Strathprints makes available scholarly Open Access content by researchers in the Department of Civil & Environmental Engineering, based within the Faculty of Engineering.

Civil & Environmental Engineering hosts the Centre for Intelligent Infrastructure which harnesses techniques from a variety of sciences and engineering in order to solve problems surrounding safety and resilience of structures supporting energy generation, waste storage, transportation and urban infrastructure. The wider Department also demonstrates specialisms in ground engineering and energy geosciences, as well as environmental sustainability.

Explore the Open Access research of Civil & Environmental Engineering. Or explore all of Strathclyde's Open Access research...

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Number of items: 9.

Article

Subramanian, Vigneshwari and Ratkova, Ekaterina and Palmer, David S. and Engkvist, Ola and Fedorov, Maxim V. and Llinas, Antonio (2020) Multi-solvent models for solvation free energy predictions using 3D-RISM hydration thermodynamic descriptors. Journal of Chemical Information and Modeling, 60 (6). pp. 2977-2988. ISSN 1549-9596

Fusani, Lucia and Palmer, David S. and Somers, Donald O. and Wall, Ian D. (2020) Exploring ligand stability in protein crystal structures using binding pose metadynamics. Journal of Chemical Information and Modeling, 60 (3). pp. 1528-1539. ISSN 1549-9596

Barrera, Maria Cecilia and Jorge, Miguel (2020) A polarization-consistent model for alcohols to predict solvation free energies. Journal of Chemical Information and Modeling, 60 (3). pp. 1352-1367. ISSN 1549-9596

Ansari, Samiul M. and Palmer, David S. (2018) Comparative molecular field analysis using molecular integral equation theory. Journal of Chemical Information and Modeling. ISSN 1549-9596

McDonagh, James and Palmer, David S. and van Mourik, Tanja and Mitchell, John B.O. (2016) Are the sublimation thermodynamics of organic molecules predictable? Journal of Chemical Information and Modeling. ISSN 1549-9596

Hughes, L. D. and Palmer, D. S. and Nigsch, F. and Mitchell, J. B. (2008) Why are some properties more difficult to predict than others? A study of QSPR models of solubility, melting point, and Log P. Journal of Chemical Information and Modeling, 48 (1). pp. 220-232.

Palmer, D. S. and O'Boyle, N. M. and Glen, R. C. and Mitchell, J. B. (2007) Random forest models to predict aqueous solubility. Journal of Chemical Information and Modeling, 47 (1). pp. 150-158.

Cannon, E. O. and Bender, A. and Palmer, D. S. and Mitchell, J. B. (2006) Chemoinformatics-based classification of prohibited substances employed for doping in sport. Journal of Chemical Information and Modeling, 46 (6). pp. 2369-2380.

Anthony, N.G. and Huchet, G. and Johnston, B.F. and Parkinson, B.F. and Suckling, C.J. and Waigh, R.D. and Mackay, S.P. (2005) In Silico Footprinting of Ligands Binding to the Minor Groove of DNA. Journal of Chemical Information and Modeling, 45 (6). pp. 1896-1907. ISSN 1549-9596

This list was generated on Wed Jan 27 00:06:37 2021 GMT.