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Tanja van Mourik, PhD

Affiliations: 
2006- Chemistry University of St Andrews, Saint Andrews, Scotland, United Kingdom 
Area:
computational chemistry
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Parents

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Frans B. van Duijneveldt grad student 1989-1994 Utrecht
Joop H van Lenthe grad student 1989-1994 Utrecht
Thom H. Dunning post-doc 1994-1997
David C. Clary post-doc 1997-2000
Sally L. Price post-doc 1997-2000

Children

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Xiaotong Zhang grad student 2017- University of St Andrews
Dimitrios Toroz grad student 2002-2006 UCL
Lilianna Bryjko grad student 2007-2010 University of St Andrews
Cao Jie grad student 2007-2011 University of St Andrews
Lukasz Serafin grad student 2008-2012 University of St Andrews
James McDonagh grad student 2010-2014 University of St Andrews
Leo Holroyd grad student 2011-2015 University of St Andrews
Simon Hogan grad student 2013-2018 University of St Andrews

Collaborators

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Publications

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Zhang X, Barrow J, van Mourik T, et al. (2023) Towards Computational Modeling of Ligand Binding to the ILPR G-Quadruplex. Molecules (Basel, Switzerland). 28
Hogan SWL, van Mourik T. (2019) Halogen bonding in mono- and dihydrated halobenzene. Journal of Computational Chemistry. 40: 554-561
Hogan SW, van Mourik T. (2017) Corrigendum: Competition between Hydrogen and Halogen Bonding in Halogenated 1-Methyluracil:Water Systems. Journal of Computational Chemistry. 38: 933
Smith DA, Holroyd LF, van Mourik T, et al. (2016) A DFT study of 2-aminopurine-containing dinucleotides: prediction of stacked conformations with B-DNA structure. Physical Chemistry Chemical Physics : Pccp
Hogan SW, van Mourik T. (2016) Competition between hydrogen and halogen bonding in halogenated 1-methyluracil: Water systems. Journal of Computational Chemistry. 37: 763-70
Holroyd LF, van Mourik T. (2015) Stacking of the mutagenic base analogue 5-bromouracil: energy landscapes of pyrimidine dimers in gas phase and water. Physical Chemistry Chemical Physics : Pccp. 17: 30364-70
McDonagh JL, Nath N, De Ferrari L, et al. (2014) Uniting cheminformatics and chemical theory to predict the intrinsic aqueous solubility of crystalline druglike molecules. Journal of Chemical Information and Modeling. 54: 844-56
Simpson GJ, Hogan SW, Caffio M, et al. (2014) New class of metal bound molecular switches involving H-tautomerism. Nano Letters. 14: 634-9
Serafin LM, Law MM, van Mourik T. (2013) Computational Studies of Bridging Structures and Isomerism in Substituted Disilynes. Journal of Chemical Theory and Computation. 9: 2697-705
Palmer DS, McDonagh JL, Mitchell JB, et al. (2012) First-Principles Calculation of the Intrinsic Aqueous Solubility of Crystalline Druglike Molecules. Journal of Chemical Theory and Computation. 8: 3322-3337
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