Open Access - Learn. Share. Advance.

International Open Access Week! Discover open research content at Strathprints...

21-27 October is International Open Access Week 2019, the theme of which is 'Open for whom? Equity in open knowledge'.

The Strathprints repository provides a digital archive of University of Strathclyde research outputs. Up to 95% of University of Strathclyde research content published since 2015, such as papers and articles, is available from this repository as Open Access thereby supporting equity in open knowledge - and the team supporting open initiatives at Strathclyde is working tirelessly to make even more content open!

Explore recent Open Access research content by world leading researchers across science, engineering, business, social sciences and humanities disciplines.

Or explore all Open Access research content...

Browse by Journal or other publication

Up a level
Export as [feed] Atom [feed] RSS 1.0 [feed] RSS 2.0
Group by: Publication Date | Item type | No Grouping
Jump to: 2018 | 2017 | 2013 | 2012 | 2011 | 2010 | 2009
Number of items: 9.

2018

Milne, Andrew W. and Jorge, Miguel (2018) Polarisation corrections and the hydration free energy of water. Journal of Chemical Theory and Computation. ISSN 1549-9618

2017

Berg, Andrej and Peter, Christine and Johnston, Karen (2017) Evaluation and optimisation of interface force fields for water on gold surfaces. Journal of Chemical Theory and Computation. ISSN 1549-9618

2013

Palmer, David and Sørensen, Jesper Givskov J.G. and Schiøtt, Birgit B. and Fedorov, Maxim V. M.V. (2013) Solvent binding analysis and computational alanine scanning of the bovine chymosin-bovine κ-casein complex using molecular integral equation theory. Journal of Chemical Theory and Computation, 9 (12). pp. 5706-5717. ISSN 1549-9618

2012

Palmer, David and McDonagh, James L and Mitchell, John B.O. and van Mourik, Tanja and Fedorov, Maxim (2012) First principles calculation of the intrinsic aqueous solubility of crystalline druglike molecules. Journal of Chemical Theory and Computation, 8 (9). 3322–3337. ISSN 1549-9618

Sergiievskyi, Volodymyr P. and Fedorov, Maxim V. (2012) 3DRISM multigrid algorithm for fast solvation free energy calculations. Journal of Chemical Theory and Computation, 8 (6). pp. 2062-2070. ISSN 1549-9618

2011

Ratkova, Ekaterina L. and Fedorov, Maxim V. (2011) Combination of RISM and cheminformatics for efficient predictions of hydration free energy of polyfragment molecules : application to a set of organic pollutants. Journal of Chemical Theory and Computation, 7 (5). pp. 1450-1457. ISSN 1549-9618

Jensen, Frank and Palmer, David S. (2011) Harmonic vibrational analysis in delocalized internal coordinates. Journal of Chemical Theory and Computation, 7 (1). pp. 223-230.

2010

Jorge, Miguel and Garrido, Nuno M. and Queimada, Antonio J. and Economou, Ioannis G. and Macedo, Eugenia A. (2010) Effect of the integration method on the accuracy and computational efficiency of free energy calculations using thermodynamic integration. Journal of Chemical Theory and Computation, 6 (4). pp. 1018-1027. ISSN 1549-9618

2009

Garrido, Nuno M. and Queimada, Antonio J. and Jorge, Miguel and Macedo, Eugenia A. and Economou, Ioannis G. (2009) 1-Octanol/water partition coefficients of n-alkanes from molecular simulations of absolute solvation free energies. Journal of Chemical Theory and Computation, 5 (9). pp. 2436-2446. ISSN 1549-9618

This list was generated on Sun Oct 20 15:40:19 2019 BST.